Fri Nov 8 04:01:30 UTC 2024 I: starting to build nwchem/unstable/arm64 on jenkins on '2024-11-08 04:01' Fri Nov 8 04:01:30 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_11/69860/console.log Fri Nov 8 04:01:30 UTC 2024 I: Downloading source for unstable/nwchem=7.2.3-6 --2024-11-08 04:01:31-- http://deb.debian.org/debian/pool/main/n/nwchem/nwchem_7.2.3-6.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2838 (2.8K) [text/prs.lines.tag] Saving to: ‘nwchem_7.2.3-6.dsc’ 0K .. 100% 313M=0s 2024-11-08 04:01:31 (313 MB/s) - ‘nwchem_7.2.3-6.dsc’ saved [2838/2838] Fri Nov 8 04:01:31 UTC 2024 I: nwchem_7.2.3-6.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: nwchem Binary: nwchem, nwchem-openmpi, nwchem-mpich, nwchem-data Architecture: any all Version: 7.2.3-6 Maintainer: Debichem Team Uploaders: Michael Banck , Drew Parsons Homepage: https://nwchemgit.github.io Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/debichem-team/nwchem Vcs-Git: https://salsa.debian.org/debichem-team/nwchem.git Testsuite: autopkgtest Testsuite-Triggers: libatlas-base-dev, libblas.so.3, libblas3, libblis-dev, liblapack.so.3, liblapack3, libopenblas-dev Build-Depends: debhelper-compat (= 13), dh-python, gfortran, bc, libarmci-mpi-dev (>= 0.3.1~beta-2~), libblas-dev, libglobalarrays-dev (>= 5.8.1-4~), liblapack-dev, libscalapack-mpi-dev (>= 2), libscalapack-mpich-dev (>= 2), libscalapack-openmpi-dev (>= 2) [!armel !armhf !i386 !hurd-i386 !hppa !m68k !powerpc !sh4 !x32], mpi-default-bin, mpi-default-dev, libmpich-dev, libopenmpi-dev [!armel !armhf !i386 !hurd-i386 !hppa !m68k !powerpc !sh4 !x32], openssh-client, pkgconf, python3-dev, zlib1g-dev Package-List: nwchem deb science optional arch=all nwchem-data deb science optional arch=all nwchem-mpich deb science optional arch=any nwchem-openmpi deb science optional arch=alpha,amd64,arm64,hurd-amd64,ia64,kfreebsd-amd64,loong64,mips64el,ppc64,ppc64el,riscv64,s390x,sparc64 Checksums-Sha1: 6a8caea9c16cbd13bcd3489fdd4b486d642948f9 167739077 nwchem_7.2.3.orig.tar.bz2 a70eeef8340c6950a11759daf77f414785c2ab15 560132 nwchem_7.2.3-6.debian.tar.xz Checksums-Sha256: 8800196cf85771264f3bc9c5aa8bc24410a95ec1acc3f515e1d08dd7ca82c5fd 167739077 nwchem_7.2.3.orig.tar.bz2 bb7fc350d306fb0cd7b501f668f2f8aba8052b4ec7c6fc32d70aae6fffe4d94d 560132 nwchem_7.2.3-6.debian.tar.xz Files: 4b54eeeb88c24d11407d52a08200ea96 167739077 nwchem_7.2.3.orig.tar.bz2 4d9c01d3c92d9649aad1943359b19515 560132 nwchem_7.2.3-6.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJIBAEBCgAyFiEEI8mpPlhYGekSbQo2Vz7x5L1aAfoFAmcqpugUHGRwYXJzb25z QGRlYmlhbi5vcmcACgkQVz7x5L1aAfrjxhAAjPZ1mgkuTYnGddxX4DGkilgZVHxl T3MHsbmiZuU/jY9bMVRI/rIFz7pUskvMDXIt6Ee0dOuXlr2FAM65IS+BCUCss5aR l5PHFp8SdvKvtGK1+pe4GuTkEVs7JqWzznUOGrGZDis5+oInXBrOatdZRqH48Hhh RkZS/DDDC56WN7vX++ZtMtU2LD/DfoZIa49t/EjihdLCIAPZCMexKaCgagrCKqQC UGlXmIpC0TI/uGWQAl5uwUtRcSDFhHg88zrmrKS25jMlM5GCvhFC7oYIDZhS4ivf SsMWFZF5mcpNLHNF+tgoC1GCPZVbe6cbZvsqkvz0sM9J9LeLD1q4L7FJEUszx9OA UpHR/hZCp1DrAQ+Fg1GS2iNrsppl+K8j2wmzkmfnhEy2Gj22erZ1tZud9LZwHcNM DxnQeO3mUt3YwrZuawxNJ7nCzKKcrK2RUVEqW5pBlzuzZFw2fd+wIcsJH1y/WyFO NeH1V8PZiIvukK8YZv5aEPFDnHTrQNr/3/T/5cmZaN5soq7u4rMC0gcEIqAJTK04 CiYNBGNZFQRjJjS26+tDx1IrOlKX1tUdZdKJDWEW9auVwmqqI8ED7N+iToc7s1PD EHCMBnlik5UtRXYLPdOAqTsgkt3wXeARAmEOl17YwxymUwAUxb2gVoAT2ZzmI1ZD 39jkuHON/hSerGE= =fJoW -----END PGP SIGNATURE----- Fri Nov 8 04:01:31 UTC 2024 I: Checking whether the package is not for us Fri Nov 8 04:01:31 UTC 2024 I: Starting 1st build on remote node codethink03-arm64.debian.net. Fri Nov 8 04:01:31 UTC 2024 I: Preparing to do remote build '1' on codethink03-arm64.debian.net. Fri Nov 8 08:07:15 UTC 2024 I: Deleting $TMPDIR on codethink03-arm64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Wed Dec 10 22:24:37 -12 2025 I: pbuilder-time-stamp: 1765448677 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [nwchem_7.2.3-6.dsc] I: copying [./nwchem_7.2.3.orig.tar.bz2] I: copying [./nwchem_7.2.3-6.debian.tar.xz] I: Extracting source gpgv: Signature made Tue Nov 5 23:14:48 2024 gpgv: using RSA key 23C9A93E585819E9126D0A36573EF1E4BD5A01FA gpgv: issuer "dparsons@debian.org" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./nwchem_7.2.3-6.dsc: no acceptable signature found dpkg-source: info: extracting nwchem in nwchem-7.2.3 dpkg-source: info: unpacking nwchem_7.2.3.orig.tar.bz2 dpkg-source: info: unpacking nwchem_7.2.3-6.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying 01_hardcode_basis-sets_location.patch dpkg-source: info: applying 02_makefile_flags.patch dpkg-source: info: applying peigs_defines.patch dpkg-source: info: applying 15_testsuite_print_output_on_failure.patch dpkg-source: info: applying ga_libs.patch dpkg-source: info: applying detect_mpi.patch dpkg-source: info: applying 32bit_overflow_n2_ccsd_2824153.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/497647/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='arm64' IFS=' ' INVOCATION_ID='72549944c612412fbb0d00308ee239ab' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='497647' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/pbuilderrc_Uc5o --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/b1 --logfile b1/build.log nwchem_7.2.3-6.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://192.168.101.4:3128' I: uname -a Linux codethink03-arm64 6.1.0-26-cloud-arm64 #1 SMP Debian 6.1.112-1 (2024-09-30) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/497647/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), dh-python, gfortran, bc, libarmci-mpi-dev (>= 0.3.1~beta-2~), libblas-dev, libglobalarrays-dev (>= 5.8.1-4~), liblapack-dev, libscalapack-mpi-dev (>= 2), libscalapack-mpich-dev (>= 2), libscalapack-openmpi-dev (>= 2), mpi-default-bin, mpi-default-dev, libmpich-dev, libopenmpi-dev, openssh-client, pkgconf, python3-dev, zlib1g-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 20089 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on bc; however: Package bc is not installed. pbuilder-satisfydepends-dummy depends on libarmci-mpi-dev (>= 0.3.1~beta-2~); however: Package libarmci-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libglobalarrays-dev (>= 5.8.1-4~); however: Package libglobalarrays-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-mpi-dev (>= 2); however: Package libscalapack-mpi-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-mpich-dev (>= 2); however: Package libscalapack-mpich-dev is not installed. pbuilder-satisfydepends-dummy depends on libscalapack-openmpi-dev (>= 2); however: Package libscalapack-openmpi-dev is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-bin; however: Package mpi-default-bin is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-dev; however: Package mpi-default-dev is not installed. pbuilder-satisfydepends-dummy depends on libmpich-dev; however: Package libmpich-dev is not installed. pbuilder-satisfydepends-dummy depends on libopenmpi-dev; however: Package libopenmpi-dev is not installed. pbuilder-satisfydepends-dummy depends on openssh-client; however: Package openssh-client is not installed. pbuilder-satisfydepends-dummy depends on pkgconf; however: Package pkgconf is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bc{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} dwz{a} file{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} hwloc-nox{a} ibverbs-providers{a} intltool-debian{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libarmci-mpi-dev{a} libblas-dev{a} libblas3{a} libcbor0.10{a} libcom-err2{a} libdebhelper-perl{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-dev{a} libevent-extra-2.1-7t64{a} libevent-openssl-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfido2-1{a} libfile-stripnondeterminism-perl{a} libgfortran-14-dev{a} libgfortran5{a} libglobalarrays-dev{a} libgssapi-krb5-2{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-dev{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs-dev{a} libibverbs1{a} libicu72{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libmpich-dev{a} libmpich12{a} libmunge2{a} libnl-3-200{a} libnl-3-dev{a} libnl-route-3-200{a} libnl-route-3-dev{a} libnsl2{a} libnuma-dev{a} libnuma1{a} libopenmpi-dev{a} libopenmpi3t64{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix-dev{a} libpmix2t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} librdmacm1t64{a} libreadline8t64{a} libscalapack-mpi-dev{a} libscalapack-mpich-dev{a} libscalapack-mpich2.2{a} libscalapack-openmpi-dev{a} libscalapack-openmpi2.2{a} libslurm41t64{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libucx-dev{a} libucx0{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxml2{a} libxnvctrl0{a} libz3-4{a} m4{a} man-db{a} media-types{a} mpi-default-bin{a} mpi-default-dev{a} mpich{a} netbase{a} ocl-icd-libopencl1{a} openmpi-bin{a} openmpi-common{a} openssh-client{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python3{a} python3-autocommand{a} python3-dev{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-minimal{a} python3-more-itertools{a} python3-pkg-resources{a} python3-setuptools{a} python3-typeguard{a} python3-typing-extensions{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} readline-common{a} sensible-utils{a} tzdata{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl javascript-common krb5-locales libarchive-cpio-perl libcoarrays-openmpi-dev libmail-sendmail-perl lynx wget xauth 0 packages upgraded, 157 newly installed, 0 to remove and 0 not upgraded. Need to get 140 MB of archives. After unpacking 657 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main arm64 libpython3.12-minimal arm64 3.12.7-2 [808 kB] Get: 2 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.6.3-2 [90.1 kB] Get: 3 http://deb.debian.org/debian unstable/main arm64 python3.12-minimal arm64 3.12.7-2 [1939 kB] Get: 4 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.12.6-1 [26.7 kB] Get: 5 http://deb.debian.org/debian unstable/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main arm64 tzdata all 2024b-3 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 9 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.1-1+b1 [23.1 kB] Get: 10 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 11 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B] Get: 12 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 13 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 14 http://deb.debian.org/debian unstable/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3+b1 [78.7 kB] Get: 16 http://deb.debian.org/debian unstable/main arm64 libnsl2 arm64 1.3.0-3+b3 [37.9 kB] Get: 17 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-5 [159 kB] Get: 19 http://deb.debian.org/debian unstable/main arm64 libpython3.12-stdlib arm64 3.12.7-2 [1902 kB] Get: 20 http://deb.debian.org/debian unstable/main arm64 python3.12 arm64 3.12.7-2 [671 kB] Get: 21 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.12.6-1 [9692 B] Get: 22 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.12.6-1 [27.8 kB] Get: 23 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.45-3+b1 [314 kB] Get: 25 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.45-3+b1 [102 kB] Get: 26 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.45-3+b1 [43.4 kB] Get: 27 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.22.5-2 [198 kB] Get: 28 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB] Get: 29 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-5 [1129 kB] Get: 30 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40.2-10 [96.5 kB] Get: 31 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 32 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 33 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 34 http://deb.debian.org/debian unstable/main arm64 libcbor0.10 arm64 0.10.2-2 [27.4 kB] Get: 35 http://deb.debian.org/debian unstable/main arm64 libfido2-1 arm64 1.15.0-1+b1 [74.3 kB] Get: 36 http://deb.debian.org/debian unstable/main arm64 openssh-client arm64 1:9.9p1-3 [928 kB] Get: 37 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 38 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.72-3 [493 kB] Get: 39 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 40 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 41 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.22.5-2 [723 kB] Get: 42 http://deb.debian.org/debian unstable/main arm64 bc arm64 1.07.1-4+b1 [101 kB] Get: 43 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get: 44 http://deb.debian.org/debian unstable/main arm64 libtool all 2.4.7-8 [517 kB] Get: 45 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 46 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 47 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 48 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 49 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.192-4 [189 kB] Get: 50 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 51 http://deb.debian.org/debian unstable/main arm64 libicu72 arm64 72.1-5+b1 [9239 kB] Get: 52 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.1 [630 kB] Get: 53 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.22.5-2 [1532 kB] Get: 54 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 55 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 56 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.20 [915 kB] Get: 57 http://deb.debian.org/debian unstable/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 58 http://deb.debian.org/debian unstable/main arm64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 59 http://deb.debian.org/debian unstable/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 60 http://deb.debian.org/debian unstable/main arm64 python3-typeguard all 4.4.1-1 [37.0 kB] Get: 61 http://deb.debian.org/debian unstable/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 62 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 63 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 64 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 75.2.0-1 [213 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 66 http://deb.debian.org/debian unstable/main arm64 python3-zipp all 3.20.2-1 [10.3 kB] Get: 67 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 75.2.0-1 [731 kB] Get: 68 http://deb.debian.org/debian unstable/main arm64 dh-python all 6.20241024 [109 kB] Get: 69 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14.2.0-8 [361 kB] Get: 70 http://deb.debian.org/debian unstable/main arm64 libgfortran-14-dev arm64 14.2.0-8 [418 kB] Get: 71 http://deb.debian.org/debian unstable/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-8 [9791 kB] Get: 72 http://deb.debian.org/debian unstable/main arm64 gfortran-14 arm64 14.2.0-8 [12.2 kB] Get: 73 http://deb.debian.org/debian unstable/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.2.0-1 [1284 B] Get: 74 http://deb.debian.org/debian unstable/main arm64 gfortran arm64 4:14.2.0-1 [1424 B] Get: 75 http://deb.debian.org/debian unstable/main arm64 libhwloc15 arm64 2.11.2-1 [141 kB] Get: 76 http://deb.debian.org/debian unstable/main arm64 hwloc-nox arm64 2.11.2-1 [204 kB] Get: 77 http://deb.debian.org/debian unstable/main arm64 libnl-3-200 arm64 3.7.0-0.3+b1 [57.0 kB] Get: 78 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-200 arm64 3.7.0-0.3+b1 [167 kB] Get: 79 http://deb.debian.org/debian unstable/main arm64 libibverbs1 arm64 52.0-2+b1 [58.8 kB] Get: 80 http://deb.debian.org/debian unstable/main arm64 ibverbs-providers arm64 52.0-2+b1 [321 kB] Get: 81 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB] Get: 82 http://deb.debian.org/debian unstable/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get: 83 http://deb.debian.org/debian unstable/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b2 [12.1 MB] Get: 84 http://deb.debian.org/debian unstable/main arm64 libdrm-common all 2.4.123-1 [8084 B] Get: 85 http://deb.debian.org/debian unstable/main arm64 libdrm2 arm64 2.4.123-1 [38.0 kB] Get: 86 http://deb.debian.org/debian unstable/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get: 87 http://deb.debian.org/debian unstable/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB] Get: 88 http://deb.debian.org/debian unstable/main arm64 libhsakmt1 arm64 6.1.2+ds-1 [56.9 kB] Get: 89 http://deb.debian.org/debian unstable/main arm64 libhsa-runtime64-1 arm64 6.1.2-2 [300 kB] Get: 90 http://deb.debian.org/debian unstable/main arm64 libamdhip64-5 arm64 5.7.1-5 [8823 kB] Get: 91 http://deb.debian.org/debian unstable/main arm64 libarmci-mpi-dev arm64 0.4-4 [64.3 kB] Get: 92 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.0-3+b1 [98.9 kB] Get: 93 http://deb.debian.org/debian unstable/main arm64 libblas-dev arm64 3.12.0-3+b1 [106 kB] Get: 94 http://deb.debian.org/debian unstable/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10+b1 [170 kB] Get: 95 http://deb.debian.org/debian unstable/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10+b1 [126 kB] Get: 96 http://deb.debian.org/debian unstable/main arm64 libevent-extra-2.1-7t64 arm64 2.1.12-stable-10+b1 [102 kB] Get: 97 http://deb.debian.org/debian unstable/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10+b1 [54.4 kB] Get: 98 http://deb.debian.org/debian unstable/main arm64 libevent-openssl-2.1-7t64 arm64 2.1.12-stable-10+b1 [60.4 kB] Get: 99 http://deb.debian.org/debian unstable/main arm64 libevent-dev arm64 2.1.12-stable-10+b1 [304 kB] Get: 100 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.6.3-2 [142 kB] Get: 101 http://deb.debian.org/debian unstable/main arm64 librdmacm1t64 arm64 52.0-2+b1 [67.4 kB] Get: 102 http://deb.debian.org/debian unstable/main arm64 libfabric1 arm64 1.17.0-3.1 [480 kB] Get: 103 http://deb.debian.org/debian unstable/main arm64 libglobalarrays-dev arm64 5.8.2-11 [494 kB] Get: 104 http://deb.debian.org/debian unstable/main arm64 libnuma-dev arm64 2.0.18-1+b1 [37.8 kB] Get: 105 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.4.7-8 [392 kB] Get: 106 http://deb.debian.org/debian unstable/main arm64 libltdl-dev arm64 2.4.7-8 [165 kB] Get: 107 http://deb.debian.org/debian unstable/main arm64 libhwloc-dev arm64 2.11.2-1 [237 kB] Get: 108 http://deb.debian.org/debian unstable/main arm64 libpciaccess0 arm64 0.17-3+b2 [51.2 kB] Get: 109 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB] Get: 110 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.2-3+b2 [24.4 kB] Get: 111 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB] Get: 112 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.10-2 [337 kB] Get: 113 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB] Get: 114 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b2 [49.3 kB] Get: 115 http://deb.debian.org/debian unstable/main arm64 libxnvctrl0 arm64 535.171.04-1+b1 [14.1 kB] Get: 116 http://deb.debian.org/debian unstable/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b2 [39.3 kB] Get: 117 http://deb.debian.org/debian unstable/main arm64 libhwloc-plugins arm64 2.11.2-1 [17.9 kB] Get: 118 http://deb.debian.org/debian unstable/main arm64 libibumad3 arm64 52.0-2+b1 [27.1 kB] Get: 119 http://deb.debian.org/debian unstable/main arm64 libibmad5 arm64 52.0-2+b1 [41.5 kB] Get: 120 http://deb.debian.org/debian unstable/main arm64 libnl-3-dev arm64 3.7.0-0.3+b1 [101 kB] Get: 121 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-dev arm64 3.7.0-0.3+b1 [198 kB] Get: 122 http://deb.debian.org/debian unstable/main arm64 libibverbs-dev arm64 52.0-2+b1 [625 kB] Get: 123 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 124 http://deb.debian.org/debian unstable/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 125 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 126 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 7.4.7-4 [158 kB] Get: 127 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.0-3+b1 [1812 kB] Get: 128 http://deb.debian.org/debian unstable/main arm64 liblapack-dev arm64 3.12.0-3+b1 [3709 kB] Get: 129 http://deb.debian.org/debian unstable/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 130 http://deb.debian.org/debian unstable/main arm64 libmpich12 arm64 4.2.0-14 [6832 kB] Get: 131 http://deb.debian.org/debian unstable/main arm64 libucx-dev arm64 1.17.0+ds-3 [1341 kB] Get: 132 http://deb.debian.org/debian unstable/main arm64 libslurm41t64 arm64 24.05.4-1 [686 kB] Get: 133 http://deb.debian.org/debian unstable/main arm64 mpich arm64 4.2.0-14 [213 kB] Get: 134 http://deb.debian.org/debian unstable/main arm64 libmpich-dev arm64 4.2.0-14 [8716 kB] Get: 135 http://deb.debian.org/debian unstable/main arm64 libmunge2 arm64 0.5.15-4+b1 [19.4 kB] Get: 136 http://deb.debian.org/debian unstable/main arm64 libpmix2t64 arm64 5.0.3-2+b1 [588 kB] Get: 137 http://deb.debian.org/debian unstable/main arm64 libopenmpi3t64 arm64 5.0.5-3 [1806 kB] Get: 138 http://deb.debian.org/debian unstable/main arm64 openmpi-common all 5.0.5-3 [95.0 kB] Get: 139 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB] Get: 140 http://deb.debian.org/debian unstable/main arm64 libpmix-dev arm64 5.0.3-2+b1 [3930 kB] Get: 141 http://deb.debian.org/debian unstable/main arm64 openmpi-bin arm64 5.0.5-3 [159 kB] Get: 142 http://deb.debian.org/debian unstable/main arm64 libopenmpi-dev arm64 5.0.5-3 [1088 kB] Get: 143 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB] Get: 144 http://deb.debian.org/debian unstable/main arm64 libpython3.12t64 arm64 3.12.7-2 [1982 kB] Get: 145 http://deb.debian.org/debian unstable/main arm64 libpython3.12-dev arm64 3.12.7-2 [4788 kB] Get: 146 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.12.6-1 [9952 B] Get: 147 http://deb.debian.org/debian unstable/main arm64 mpi-default-bin arm64 1.17 [2372 B] Get: 148 http://deb.debian.org/debian unstable/main arm64 libscalapack-openmpi2.2 arm64 2.2.1-5 [1236 kB] Get: 149 http://deb.debian.org/debian unstable/main arm64 libscalapack-openmpi-dev arm64 2.2.1-5 [10.7 kB] Get: 150 http://deb.debian.org/debian unstable/main arm64 mpi-default-dev arm64 1.17 [3148 B] Get: 151 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpi-dev arm64 2.2.1-5 [5888 B] Get: 152 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpich2.2 arm64 2.2.1-5 [1236 kB] Get: 153 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get: 154 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get: 155 http://deb.debian.org/debian unstable/main arm64 python3.12-dev arm64 3.12.7-2 [505 kB] Get: 156 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.12.6-1 [26.1 kB] Get: 157 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpich-dev arm64 2.2.1-5 [10.7 kB] Fetched 140 MB in 1s (111 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20089 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.7-2_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.7-2) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.3-2_arm64.deb ... Unpacking libexpat1:arm64 (2.6.3-2) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.7-2_arm64.deb ... Unpacking python3.12-minimal (3.12.7-2) ... Setting up libpython3.12-minimal:arm64 (3.12.7-2) ... Setting up libexpat1:arm64 (2.6.3-2) ... Setting up python3.12-minimal (3.12.7-2) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20409 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.6-1_arm64.deb ... Unpacking python3-minimal (3.12.6-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024b-3_all.deb ... Unpacking tzdata (2024b-3) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../05-libcom-err2_1.47.1-1+b1_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.1-1+b1) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../07-libkeyutils1_1.6.3-4_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:arm64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3+b1_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3+b1) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../12-libnsl2_1.3.0-3+b3_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b3) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../14-libreadline8t64_8.2-5_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.7-2_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.7-2) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.7-2_arm64.deb ... Unpacking python3.12 (3.12.7-2) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../17-libpython3-stdlib_3.12.6-1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.6-1) ... Setting up python3-minimal (3.12.6-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21471 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.6-1_arm64.deb ... Unpacking python3 (3.12.6-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3+b1_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3+b1) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3+b1_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3+b1) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3+b1_arm64.deb ... Unpacking file (1:5.45-3+b1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_arm64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b2_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b2) ... Selecting previously unselected package groff-base. Preparing to unpack .../007-groff-base_1.23.0-5_arm64.deb ... Unpacking groff-base (1.23.0-5) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../008-bsdextrautils_2.40.2-10_arm64.deb ... Unpacking bsdextrautils (2.40.2-10) ... Selecting previously unselected package libpipeline1:arm64. Preparing to unpack .../009-libpipeline1_1.5.8-1_arm64.deb ... Unpacking libpipeline1:arm64 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../010-man-db_2.13.0-1_arm64.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package libedit2:arm64. Preparing to unpack .../011-libedit2_3.1-20240808-1_arm64.deb ... Unpacking libedit2:arm64 (3.1-20240808-1) ... Selecting previously unselected package libcbor0.10:arm64. Preparing to unpack .../012-libcbor0.10_0.10.2-2_arm64.deb ... Unpacking libcbor0.10:arm64 (0.10.2-2) ... Selecting previously unselected package libfido2-1:arm64. Preparing to unpack .../013-libfido2-1_1.15.0-1+b1_arm64.deb ... Unpacking libfido2-1:arm64 (1.15.0-1+b1) ... Selecting previously unselected package openssh-client. Preparing to unpack .../014-openssh-client_1%3a9.9p1-3_arm64.deb ... Unpacking openssh-client (1:9.9p1-3) ... Selecting previously unselected package m4. Preparing to unpack .../015-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../016-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../017-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../018-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package autopoint. 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Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... Setting up libz3-4:arm64 (4.13.3-1) ... Setting up libblas3:arm64 (3.12.0-3+b1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode Setting up libpkgconf3:arm64 (1.8.1-4) ... Setting up libmunge2:arm64 (0.5.15-4+b1) ... Setting up libexpat1-dev:arm64 (2.6.3-2) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libglobalarrays-dev (5.8.2-11) ... Setting up libhwloc15:arm64 (2.11.2-1) ... Setting up autopoint (0.22.5-2) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:arm64 (1.21.3-3) ... Setting up libltdl7:arm64 (2.4.7-8) ... Setting up libgfortran5:arm64 (14.2.0-8) ... Setting up autoconf (2.72-3) ... Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libnuma1:arm64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... 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Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-typeguard (4.4.1-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.12.6-1) ... Setting up libopenmpi3t64:arm64 (5.0.5-3) ... Setting up libucx-dev:arm64 (1.17.0+ds-3) ... Setting up libmpich12:arm64 (4.2.0-14) ... Setting up openmpi-bin (5.0.5-3) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/mpirun.1.gz because associated file /usr/share/man/man1/mpirun.openmpi.1.gz (of link group mpirun) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up python3-pkg-resources (75.2.0-1) ... Setting up python3-setuptools (75.2.0-1) ... Setting up mpich (4.2.0-14) ... Setting up mpi-default-bin (1.17) ... Setting up libscalapack-mpich2.2:arm64 (2.2.1-5) ... Setting up libmpich-dev:arm64 (4.2.0-14) ... update-alternatives: using /usr/include/aarch64-linux-gnu/mpich to provide /usr/include/aarch64-linux-gnu/mpi (mpi-aarch64-linux-gnu) in auto mode Setting up libscalapack-mpich-dev:arm64 (2.2.1-5) ... Setting up libopenmpi-dev:arm64 (5.0.5-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/openmpi/include to provide /usr/include/aarch64-linux-gnu/mpi (mpi-aarch64-linux-gnu) in auto mode Setting up libscalapack-openmpi2.2:arm64 (2.2.1-5) ... Setting up dh-python (6.20241024) ... Setting up libscalapack-openmpi-dev:arm64 (2.2.1-5) ... Setting up mpi-default-dev (1.17) ... Setting up libscalapack-mpi-dev:arm64 (2.2.1-5) ... Processing triggers for libc-bin (2.40-3) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/reproducible-path/nwchem-7.2.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../nwchem_7.2.3-6_source.changes dpkg-buildpackage: info: source package nwchem dpkg-buildpackage: info: source version 7.2.3-6 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Drew Parsons dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 fakeroot debian/rules clean dh clean --with python3 debian/rules override_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' rm -rf /build/reproducible-path/nwchem-7.2.3/pristine-src /build/reproducible-path/nwchem-7.2.3/build-mpich /build/reproducible-path/nwchem-7.2.3/build-openmpi dh_testdir (cd /build/reproducible-path/nwchem-7.2.3/src && make -j 12 realclean) make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F echo "# Request modules from user: pnnl" >> nwchem_config.h for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h cp util_module_avail_F.begin ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo The following subdirectories are built: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h cat util_module_avail_F.end >> ../util/util_module_avail.F echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/config' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src' ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.3/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src' rm -f nwchem nwchem_prof nwchem_test core *.o *.a *.trace makefile.bak rm -f *~ \#*\# Making realclean in tools make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tools' make[3]: warning: -j1 forced in makefile: resetting jobserver mode. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tools' Making realclean in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/include' rm -f *.h *.fh rm -f *~ \#*\# make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/include' Making realclean in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/basis' ( cd /build/reproducible-path/nwchem-7.2.3/src/config; make /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x ; ) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/config' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testbasis testbasis.o libcheck if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/basis' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/basis' Making realclean in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/geom' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/geom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/geom' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/geom' Making realclean in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/inp' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/inp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o test hnd_rdfree.o hnd_rdfree if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/inp' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/inp' Making realclean in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/input' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ] ; then \ echo input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/input' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/input' Making realclean in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/pstat' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/pstat' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/pstat' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/pstat' Making realclean in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb' Making clean in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test.o words.o if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo hdbm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb/hdbm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test test.o rtdbtest rtdbtest.o interact context davetest context.o davetest.o interact.o rtdb_par_f2c.o cntx.o cntx testgr.o testgr if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rtdb' Making realclean in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/task' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/task' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ] ; then \ echo task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/task' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/task' Making realclean in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/symmetry' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/symmetry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/symmetry' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/symmetry' Making realclean in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/util' bash: line 1: /build/reproducible-path/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies bash: line 1: /build/reproducible-path/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory Making realclean in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/util' bash: line 1: /build/reproducible-path/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory Making clean in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt ftest mddriver if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo md5wrap.o md5.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/util/md5' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt testsolve testecce if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/util' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/util' Making realclean in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/peigs' (cd ./src/c; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/src/c' rm -f *.o maxx.f F*.f rm -f *.c.* make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/src/c' (cd ./src/f77; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/src/f77' rm -f *.o rm -f *.s rm -f dgetavec.f dlaebz2.f \ dstebz3.f \ neblw2.f sneblw2.f sstebz3.f rm -f F*.f make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/src/f77' (cd ./comm; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/comm' rm -f *.o rm -f mxbrod.f rm -f mxcombv1.f rm -f mxsubs.f rm -f sum.f peigs_dgop.f make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/comm' (cd ./ctof; make clean) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/ctof' rm -f *.o make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/peigs/ctof' rm -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpeigs.a rm -f peigs_stamp.LINUX64 include_stamp make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/peigs' Making realclean in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' Making realclean in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/bq' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/bq' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/bq' Making realclean in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cons' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cons' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cons' Making realclean in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' Making realclean in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' Making realclean in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' Making clean in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' Making clean in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' Making realclean in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' Making realclean in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' Making realclean in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' Making realclean in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' Making realclean in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' Making realclean in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' Making realclean in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' Making realclean in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' Making realclean in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' Making realclean in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints' Making clean in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' Making clean in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_module.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/module' Making clean in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo nwcsim_facef90.o nwcsim_hf2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint/source' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/simint' Making clean in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/api' Making clean in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt showxyz showxyz.o int_order.o int_order if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/int' Making clean in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt spherical spherical.o testnat testnat.o if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/auxil' Making clean in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ints_sp' Making clean in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/deriv' Making clean in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/texas' Making clean in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt test_drive if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/ecp' Making clean in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/hondo' Making clean in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/rel' Making clean in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints/dk' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ] ; then \ echo intgrl_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwints.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/NWints' Making realclean in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/atomscf' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libguess.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/atomscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libguess.a ] ; then \ echo orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libguess.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libguess.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libguess.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/atomscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/atomscf' Making realclean in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf' Making clean in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt solver testcheby testcarttrans testfmm if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ] ; then \ echo xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ] ; then \ echo comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libddscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf' Making realclean in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a ] ; then \ echo gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' Making realclean in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/moints' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/moints' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a ] ; then \ echo atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/moints' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/moints' Making realclean in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:358: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' Making realclean in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' Making realclean in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' Making realclean in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' Making realclean in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' Making realclean in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' Making realclean in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.3/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.3/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' Making realclean in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' Making realclean in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' Making realclean in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' Making realclean in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' Making realclean in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Making realclean in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' Making realclean in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' Making realclean in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' Making realclean in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Making realclean in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Making realclean in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' Making realclean in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' Making realclean in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Making realclean in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Making realclean in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Making realclean in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' Making clean in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Making clean in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' Making clean in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' Making clean in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Making clean in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' Making realclean in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' Making realclean in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_utils.o x2c_scf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' libfakeroot internal error: payload not recognized! Making clean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' Making clean in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/input_dft' Making clean in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft' Making clean in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/scf_dft_cg' Making clean in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/so_dft' Making clean in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/coulomb' Making clean in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' cat: /build/reproducible-path/nwchem-7.2.3/src/tools/build/global/src/ga-wapi.h: No such file or directory rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/xc' Making clean in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/util' Making clean in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/grid' Making clean in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/dftgrad' Making clean in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft' Making clean in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Making clean in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/zora' Making clean in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/spec' Making clean in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' Making clean in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Making clean in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Making clean in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/input' Making clean in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/init' Making clean in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Making clean in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Making clean in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Making clean in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo rt_tddft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/rt_tddft' Making clean in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/libxc' Making clean in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_utils.o x2c_scf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/x2c' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ] ; then \ echo nwdft.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' Making realclean in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rimp2' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rimp2' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a ] ; then \ echo rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rimp2' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/rimp2' Making realclean in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a ] ; then \ echo stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' Making realclean in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/driver' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/driver' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a ] ; then \ echo opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/driver' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/driver' Making realclean in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' Making realclean in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' Making realclean in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' Making realclean in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' Making realclean in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim' Making clean in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo deloc_driver.o deloc.o deloc_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/deloc' Making clean in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo mepgs_drv.o mepgs_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/mepgs' Making clean in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo tropt_drv.o tropt_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/tropt' Making clean in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo neb_input.o neb_drv.o neb_utils.o bead_list.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/neb' Making clean in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo string.o string_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim/string' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/liboptim.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim' Making realclean in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' Making realclean in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a ] ; then \ echo ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' Making realclean in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vib' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vib' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a ] ; then \ echo vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vib' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vib' Making realclean in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! Making realclean in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! Making clean in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ] ; then \ echo detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ] ; then \ echo mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' Making realclean in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a ] ; then \ echo prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' Making realclean in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/esp' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/esp' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a ] ; then \ echo esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/esp' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/esp' Making realclean in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' Making realclean in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' Making clean in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian' Making clean in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' Making clean in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic/dft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ] ; then \ echo hess_blas.o hess_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libhessian.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/hessian' Making realclean in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/selci' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/selci' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a ] ; then \ echo iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/selci' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/selci' Making realclean in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a ] ; then \ echo dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' Making realclean in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a ] ; then \ echo mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' Making realclean in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' Making realclean in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/property' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/property' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a ] ; then \ echo hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o pm_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/property' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/property' Making realclean in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a ] ; then \ echo mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' Making realclean in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies USE_OPENMP undefined USE_OPENMP undefined Making realclean in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' Making realclean in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Making realclean in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Making realclean in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Making realclean in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Making realclean in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Making realclean in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Making realclean in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Making realclean in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Making realclean in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Making realclean in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Making realclean in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' Making realclean in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Making realclean in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' Making realclean in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making realclean in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making realclean in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making realclean in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making realclean in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making realclean in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making realclean in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Making realclean in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Making realclean in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Making realclean in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Making realclean in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Making realclean in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Making realclean in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Making realclean in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Making realclean in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Making realclean in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Making realclean in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making realclean in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making realclean in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' Making clean in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Making clean in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' Making clean in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Making clean in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' Making clean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Making clean in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Making clean in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' Making realclean in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' Making realclean in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making realclean in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making realclean in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making realclean in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making realclean in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f dependencies make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making realclean in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making realclean in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making realclean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making realclean in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making realclean in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making realclean in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making realclean in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making realclean in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' Making realclean in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' Making realclean in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' Making realclean in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making realclean in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Making realclean in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making realclean in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making realclean in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making realclean in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making realclean in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making realclean in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' Making realclean in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' Making realclean in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making clean in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' Making clean in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' Making realclean in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' Making realclean in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' Making realclean in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' Making realclean in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' Making realclean in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' Making realclean in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' Making realclean in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Making realclean in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Making realclean in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Making realclean in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Making realclean in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Making realclean in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Making realclean in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Making realclean in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Making realclean in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' Making realclean in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Making realclean in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Making realclean in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' Making realclean in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Making realclean in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' Making realclean in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' Making realclean in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' Making realclean in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Making realclean in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' Making realclean in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' Making clean in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' Making clean in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' Making clean in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' Making clean in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' Making clean in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' Making clean in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' Making clean in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:316: clean] Error 1 (ignored) if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' Making realclean in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' Making realclean in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' Making realclean in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' Making realclean in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' Making realclean in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' Making realclean in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making realclean in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' Making realclean in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' Making realclean in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' Making realclean in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making realclean in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making realclean in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making realclean in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' Making realclean in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' Making realclean in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' Making clean in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' Making realclean in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' Making realclean in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Making realclean in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Making realclean in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' Making realclean in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making realclean in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making realclean in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making realclean in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f dependencies make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpw.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making clean in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' Making clean in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Parallel.o Parallel-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Making clean in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Making clean in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Making clean in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Making clean in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo K1dB.o K1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Making clean in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C1dB.o C1dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Making clean in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Making clean in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo DMatrix.o DMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Making clean in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo CMatrix.o CMatrix-mpi.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Making clean in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Making clean in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/control' Making clean in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Making clean in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo compressed_io.o nwpw_message.o second.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/io' Making clean in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making clean in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making clean in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making clean in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making clean in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making clean in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making clean in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo simulation_cell_input.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Making clean in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo brillouin_zone_input.o brillioun.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Making clean in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fractional.o frac_occ_input.o frac_occ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Making clean in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo linesearch.o Order_Values.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Making clean in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_timing.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Making clean in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo ewald.o ewald_strfac.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Making clean in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nose-hoover.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Making clean in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo metadynamics_input.o metadynamics_aux.o metadynamics.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Making clean in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo tamd_input.o tamd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Making clean in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo fmm.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Making clean in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making clean in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo feff6Lib.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo md_xs_input.o md_xs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making clean in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib' Making clean in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo nwpw_library.o nwpw_libfile.o nwpw_set_library.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/libraryps' Making clean in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psi_H.o psi_Hv4.o electron.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making clean in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making clean in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_sic.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making clean in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo ion_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making clean in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making clean in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo aorbs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making clean in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo truncating_function.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lib' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/makepsi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cgsd' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/analysis' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Making clean in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making clean in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_LJ.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making clean in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Q.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making clean in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_Pair.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making clean in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo mmq.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making clean in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_charge.o pspw_efield.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/charge' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/dplot' Making clean in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw/lcao' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ] ; then \ echo task_pspw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpspw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/pspw' Making clean in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' Making clean in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_geometry' Making clean in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ma.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ma' Making clean in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_utils' Making clean in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_basis.o paw_small_basis.o paw_basis_data.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_basis' Making clean in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_proj.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_proj' Making clean in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge_matrix.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Making clean in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_ovlp.o paw_overlap_matrix.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Making clean in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_comp_charge.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Making clean in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Making clean in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_gaunt.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Making clean in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_kin_atom.o paw_matrix_kin.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Making clean in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Making clean in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_ion_atom.o paw_matrix_ion.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Making clean in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy_core_atom.o paw_matrix_core.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_core' Making clean in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Making clean in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_matrix_comp_pot.o paw_pot_comp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Making clean in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_mult.o paw_mult_interaction.o paw_mult_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_mult' Making clean in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_nonlocal.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Making clean in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_density.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_density' Making clean in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_xc' Making clean in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_force.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_force' Making clean in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_Grsm_list.o paw_lmbfgs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Making clean in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/paw_psi' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cpsd' Making clean in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cgsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt rm: cannot remove 'paw_core': Is a directory make[5]: [../../config/makelib.h:316: clean] Error 1 (ignored) if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ] ; then \ echo task_paw.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpaw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/paw' Making clean in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/minimizer' Making clean in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/structure' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cpsd' Making clean in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/cell_optimize' Making clean in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making clean in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/ke' Making clean in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_coulomb.o c_coulomb_screened.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_electron.o cpsi_H.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/electron' Making clean in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/psi' Making clean in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_hfx.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making clean in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_Grsm_list.o band_lmbfgs.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making clean in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo borbs.o borb_projector.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib/borbs' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/lib' Making clean in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_dplot_input.o band_dplot.o band_dplot_iteration.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/dplot' Making clean in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' Making clean in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_APC.o band_atom_Efield.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis/APC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_analysis.o orb_pop_borb.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/analysis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band' Making clean in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' Making clean in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Making clean in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpwsd.o inner_loop_ofpw.o chi_lmbda.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Making clean in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' Making clean in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_read.o chi_write.o chi_new.o chi_expander.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making clean in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo chi_H.o chi_Hv4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making clean in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo v_thomasfermi.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making clean in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo wgc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw/lib' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ] ; then \ echo ofpw_energy.o task_ofpw.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libofpw.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/ofpw' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpw.a ] ; then \ echo nwpw_input.o nwpw_default.o nwpw_vectors_input.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpw.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpw.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpw.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw' Making realclean in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! Making realclean in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making realclean in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Making realclean in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:357: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making clean in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Making clean in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making realclean in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! Making clean in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making clean in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Making clean in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0/pfft' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making clean in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo nwfft3d.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfftwrap' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft' Making realclean in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/python' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/include/python3.12 -I/usr/include/python3.12 -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/python' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a ] ; then \ echo python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/python' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/python' Making realclean in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a ] ; then \ echo ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' Making realclean in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwmd' libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a ] ; then \ echo nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwmd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwmd' Making realclean in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cafe' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcafe.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cafe' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcafe.a ] ; then \ echo cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcafe.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcafe.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcafe.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cafe' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cafe' Making realclean in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/space' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libspace.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/space' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libspace.a ] ; then \ echo sp_init.o sp_main.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libspace.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libspace.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libspace.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/space' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/space' Making realclean in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/drdy' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdrdy.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/drdy' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdrdy.a ] ; then \ echo atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdrdy.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdrdy.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdrdy.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/drdy' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/drdy' Making realclean in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vscf' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vscf' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvscf.a ] ; then \ echo vscf_input.o vscf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvscf.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvscf.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvscf.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vscf' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vscf' Making realclean in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qmmm' libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qmmm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a ] ; then \ echo qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qmmm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qmmm' Making realclean in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qmd' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qmd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmd.a ] ; then \ echo qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmd.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmd.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmd.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qmd' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qmd' Making realclean in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/etrans' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libetrans.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/etrans' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libetrans.a ] ; then \ echo et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libetrans.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libetrans.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libetrans.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/etrans' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/etrans' Making realclean in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I./include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[4]: [../../config/makelib.h:358: realclean] Error 1 (ignored) make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' Making realclean in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' Making realclean in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' Making realclean in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' Making realclean in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' Making realclean in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' Making realclean in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' Making realclean in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' Making realclean in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' Making realclean in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' Making realclean in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' Making realclean in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' Making realclean in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' Making realclean in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' Making realclean in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' Making realclean in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' Making realclean in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' Making realclean in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' Making realclean in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' Making realclean in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' Making realclean in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' Making realclean in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' Making realclean in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' Making realclean in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' Making realclean in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' Making realclean in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' Making realclean in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Making realclean in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' Making realclean in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' Making realclean in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' Making realclean in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' Making realclean in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' Making realclean in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' Making realclean in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' Making realclean in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' Making realclean in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' Making realclean in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' Making realclean in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' Making realclean in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' Making realclean in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' Making realclean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ rm: cannot remove '/build/reproducible-path/nwchem-7.2.3/lib/LINUX64/': Is a directory make[5]: [../../../config/makelib.h:358: realclean] Error 1 (ignored) make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' Making realclean in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' Making realclean in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' Making realclean in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' Making realclean in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f dependencies make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' Making clean in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' Making clean in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' Making clean in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' Making clean in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' Making clean in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' rm -f dependencies make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce' Making clean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/include' Making clean in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis' Making clean in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/diis2' Making clean in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/gradients' Making clean in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd' Making clean in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_lambda' Making clean in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd' Making clean in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_t' Making clean in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr-eomccsd_t' Making clean in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_loc_j1.o tce_loc_j2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lrh' Making clean in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo c1v.o c2vt1_s.o emb1.o emb2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/emb' Making clean in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccd_e.o ccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccd' Making clean in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo lccd_e.o lccd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccd' Making clean in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo lccsd_e.o lccsd_t1.o lccsd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/lccsd' Making clean in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo qcisd_e.o qcisd_t1.o qcisd_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/qcisd' Making clean in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cc3' Making clean in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt1_t1.o mbpt1_t2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt1' Making clean in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt2' Making clean in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt3' Making clean in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mbpt4_e.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mbpt4' Making clean in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cis' Making clean in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisd_e.o cisd_c1.o cisd_c2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisd' Making clean in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdt' Making clean in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cisdtq' Making clean in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_act' Making clean in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsd_act' Making clean in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Making clean in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/sort' Making clean in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ducc' Making clean in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ucc4' Making clean in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eaccsd' Making clean in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ipccsd' Making clean in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt' Making clean in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsdt_lambda' Making clean in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/eomccsdt' Making clean in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_alpha' Making clean in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_beta' Making clean in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/ccsd_yr' Making clean in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/response' Making clean in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' Making clean in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ] ; then \ echo | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/ ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/include' Making clean in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd' Making clean in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_sub' Making clean in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/ccsd_t' Making clean in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc/uss' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce/mrcc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ] ; then \ echo tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libtce.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/tce' Making realclean in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/bq' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/bq' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ] ; then \ echo bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libbq.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/bq' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/bq' Making realclean in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mm' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmm.a ] ; then \ echo mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mm' Making realclean in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cons' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cons' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ] ; then \ echo cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcons.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cons' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/cons' Making realclean in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ] ; then \ echo perfm_start.o perfm_end.o perfm_flop.o dist.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libperfm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/perfm' Making realclean in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dntmc' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdntmc.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dntmc' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdntmc.a ] ; then \ echo dntmc_input.o dntmc_setgeom.o gibbs.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdntmc.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdntmc.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdntmc.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dntmc' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dntmc' Making realclean in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dangchang' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdangchang.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dangchang' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdangchang.a ] ; then \ echo dc_initialize.o dc_setgeom.o dc_energy.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdangchang.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdangchang.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdangchang.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dangchang' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dangchang' Making realclean in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ccca' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../basis -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccca.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ccca' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccca.a ] ; then \ echo task_ccca.o ccca_utils.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccca.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccca.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccca.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ccca' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ccca' Making realclean in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dimqm' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdimqm.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dimqm' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdimqm.a ] ; then \ echo dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdimqm.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdimqm.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdimqm.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dimqm' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dimqm' Making realclean in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fcidump' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libfcidump.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fcidump' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libfcidump.a ] ; then \ echo fcidump_inp.o task_fcidump.o fcidump_header.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libfcidump.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libfcidump.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libfcidump.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fcidump' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fcidump' Making realclean in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gwmol' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I./ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgwmol.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gwmol' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgwmol.a ] ; then \ echo gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgwmol.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgwmol.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgwmol.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/gwmol' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/gwmol' Making realclean in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/lib64to32.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/lib64to32.a ] ; then \ echo yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/lib64to32.a ; \ if [ `ar t /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/lib64to32.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/lib64to32.a ; \ fi ; \ fi ; make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/64to32blas' rm -f dependencies make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/64to32blas' Making realclean in config make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/config' /bin/rm -f /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x depend.o /bin/rm -f nwchem_config.h NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/config' rm -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/*.a /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/* rm -f *.db movecs fort.41 fort.44 rm -f util/util_version.F rm -f mpi_include.txt ga_cppflags.txt ga_ldflags.txt ga_use_scalapack.txt oblas_ompcheck_done.txt make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src' (cd /build/reproducible-path/nwchem-7.2.3/doc && make -j 12 realclean) make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/doc' Making realclean in prog make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/doc' make[3]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/doc/prog' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf prog make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/doc/prog' rm -f progpdf.pdf progpdf.out make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/doc/prog' Making realclean in user make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/doc' make[3]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/doc/user' /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ /bin/rm -rf user make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/doc/user' rm -f userpdf.pdf userpdf.out make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/doc/user' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/doc' rm -rf /build/reproducible-path/nwchem-7.2.3/bin /build/reproducible-path/nwchem-7.2.3/lib /build/reproducible-path/nwchem-7.2.3/src/tools/lib rm -rf /build/reproducible-path/nwchem-7.2.3/QA/scratchdir /build/reproducible-path/nwchem-7.2.3/QA/testoutputs rm -f src/util/util_version.F src/stubs.F src/util/util_module_avail.F src/util/util_nwchem_version.F find /build/reproducible-path/nwchem-7.2.3 -name "*.stamp" | xargs rm -f dh_auto_clean rm -f src/config/NWCHEM_CONFIG src/config/nwchem_config.h make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' dh_clean debian/rules build dh build --with python3 dh_update_autotools_config dh_autoreconf debian/rules execute_before_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' rm -rf /build/reproducible-path/nwchem-7.2.3/pristine-src /build/reproducible-path/nwchem-7.2.3/build-mpich /build/reproducible-path/nwchem-7.2.3/build-openmpi tmpdir=`mktemp -d`; \ cp -ra /build/reproducible-path/nwchem-7.2.3/* ${tmpdir}; \ cp debian/dftd3/dftd3.tgz ${tmpdir}/src/nwpw/nwpwlib/nwpwxc; \ mv $tmpdir /build/reproducible-path/nwchem-7.2.3/pristine-src cp -ra pristine-src build-mpich cp -ra pristine-src build-openmpi make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' debian/rules override_dh_auto_build-arch make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' set -e; \ for mpi_flavor in openmpi mpich; do \ if [ "x${mpi_flavor}" = "xmpich" ]; then \ export LIBMPI="-L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich "; \ export LDFLAGS="${LDFLAGS} -pthread"; \ else \ export LIBMPI="-L/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi "; \ fi; \ echo "building nwchem against ${mpi_flavor}"; \ echo "using LIBMPI=${LIBMPI}"; \ export NWCHEM_TOP=/build/reproducible-path/nwchem-7.2.3/build-${mpi_flavor}; \ export MPICC=mpicc.${mpi_flavor}; \ export MPICXX=mpicxx.${mpi_flavor}; \ export MPIF77=mpif77.${mpi_flavor}; \ export MPIFC=mpifort.${mpi_flavor}; \ export MPIF90=mpif90.${mpi_flavor}; \ export MPI_INCLUDE=/usr/include/aarch64-linux-gnu/${mpi_flavor}; \ export MPIRUN_PATH=/usr/bin/mpirun.${mpi_flavor}; \ export SCALAPACK=-lscalapack-${mpi_flavor}; \ export BLACS=-lscalapack-${mpi_flavor}; \ export EXTERNAL_GA_PATH=/usr/lib/aarch64-linux-gnu/ga/${mpi_flavor}; \ export GA_INCLUDE_PATH=/usr; \ export LIBDIR=${NWCHEM_TOP}/lib/LINUX64; \ mkdir -p ${NWCHEM_TOP}/bin/${NWCHEM_TARGET}; \ (cd ${NWCHEM_TOP}/src && NWCHEM_TOP=${NWCHEM_TOP} make -j 12 nwchem_config); \ if [ "x64" = "x64" ]; then \ (cd ${NWCHEM_TOP}/src && make -j 12 64_to_32) ; \ find ${NWCHEM_TOP}/src -name include_stamp | xargs rm -f; \ find ${NWCHEM_TOP}/src -name dependencies | xargs rm -f; \ fi; \ (cd ${NWCHEM_TOP}/src && make -j 12); \ (cd ${NWCHEM_TOP}/src/util && make -j 12); \ (cd ${NWCHEM_TOP}/src && make -j 12 link); \ if [ "x64" = "x64" ]; then \ (cd ${NWCHEM_TOP}/src && make -j 12 32_to_64); \ fi; \ cp ${NWCHEM_TOP}/bin/LINUX64/nwchem ${NWCHEM_TOP}/bin/LINUX64/nwchem.${mpi_flavor}; \ done building nwchem against openmpi using LIBMPI=-L/usr/lib/aarch64-linux-gnu/openmpi/lib/../../fortran/gfortran -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: pnnl" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[2]: '64_to_32' is up to date. make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/$dir ; \ (cd /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/$dir; make SKIP_COMPILERS=1 include_stamp) ; \ done Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' Nothing to be done make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' ( cd /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config; make /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x ; ) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p geom.fh geomP.fh periodic.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p inp.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p pstat.fh pstat_consts.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p hdbm.h /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p checksum.h /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p dist.fh yflop.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bq.fh bq_params.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' Making include_stamp in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making include_stamp in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Making include_stamp in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p sh_order.fh case.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Making include_stamp in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p spcartP.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Making include_stamp in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Making include_stamp in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../int/sh_order.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' Making include_stamp in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p screened_op.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' Making include_stamp in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ecp_nwc.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Making include_stamp in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' Making include_stamp in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Making include_stamp in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p moints_stats.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' Making include_stamp in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Making include_stamp in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Making include_stamp in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Making include_stamp in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Making include_stamp in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Making include_stamp in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Making include_stamp in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' Making include_stamp in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' Making include_stamp in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p matutils.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' Making include_stamp in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Making include_stamp in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p libxc.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Making include_stamp in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Making include_stamp in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Making include_stamp in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Making include_stamp in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' Making include_stamp in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' cp -p hess_info.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p prop.fh atomdata.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p stupid_mpi4.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' Making include_stamp in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p frac_occ.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' Making include_stamp in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' Making include_stamp in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Making include_stamp in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' Making include_stamp in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Making include_stamp in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_geom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_ma.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_basis.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_proj.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_matrix.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_comp_charge_data.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_gaunt.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_vloc_atom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_ion_atom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_core_atom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include/ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_energy_hartree_atom.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_mult_data.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_xc.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p paw_force_data.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Making include_stamp in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' Making include_stamp in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Making include_stamp in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' Making include_stamp in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/include/python3.12 -I/usr/include/python3.12 -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p nwmd_constants.fh md_common.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../util/util_params.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I./include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' Making include_stamp in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Making include_stamp in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Making include_stamp in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' Making include_stamp in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' Making include_stamp in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' Making include_stamp in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Making include_stamp in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Making include_stamp in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' Making include_stamp in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' Making include_stamp in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' Making include_stamp in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Making include_stamp in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Making include_stamp in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' Making include_stamp in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Making include_stamp in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Making include_stamp in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' Making include_stamp in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Making include_stamp in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' Making include_stamp in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' Making include_stamp in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' Making include_stamp in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Making include_stamp in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' Making include_stamp in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Making include_stamp in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Making include_stamp in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Making include_stamp in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Making include_stamp in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Making include_stamp in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Making include_stamp in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' Making include_stamp in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Making include_stamp in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' Making include_stamp in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' Making include_stamp in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p mm.fh mm_params.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../basis -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p dimqm.fh dimqm_constants.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I./ -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' Making libraries in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' Compiling basis.F... Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basisP.F:427:72: 427 | end | ^ Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] basisP.F:380:37: 380 | integer function nbf_from_ucont(ucont,basisin) | ^ note: '__result_nbf_from_ucont' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' Making libraries in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Compiling geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling geom_input2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_2d.F... Compiling geom_1d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_numcore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_checksum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_print_ecce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling geom_freeze.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] geom_numcore.F:107:51: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 107 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:112:54: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 112 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_fragment.F... Compiling geom_getsym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' geom_getsym.F:87:16: 87 | if (ncenter_before_auto .gt. ncenter) call errquit | ^ Warning: 'ncenter_before_auto' may be used uninitialized [-Wmaybe-uninitialized] geom_getsym.F:27:33: 27 | integer ncenter_before_auto | ^ note: 'ncenter_before_auto' was declared here geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). geom.F:1106:11: 1102 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1106 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2407:30: 2407 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3367 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:4587:12: 4587 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' | ^ Warning: 'atomic' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4448:24: 4448 | LOGICAL ATOMIC | ^ note: 'atomic' was declared here geom_input.F:4588:12: 4588 | IF(LINEAR) WRITE(IW,*) 'THIS IS A LINEAR MOLECULE' | ^ Warning: 'linear' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4449:24: 4449 | LOGICAL LINEAR | ^ note: 'linear' was declared here geom_input.F:4483:25: 4483 | integer kaxis,jaxis,isteps,istep,iordr,iaxis | ^ Warning: 'jaxis' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:5156:72: 5156 | DZ=C2(K,IAT)-C2(K,JAT) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4482:19: 4482 | integer kat,k,JJC4,JJS4,jjc2,j,i | ^ note: 'k' was declared here geom_input.F:4125:72: 4125 | return | ^ Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4058:41: 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) | ^ note: '__result_geom_lst_get_coord' was declared here geom_input.F:2866:72: 2866 | gamma = sign(gamma,aijkl) | ^ Warning: 'aijkl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2751:39: 2751 | double precision rij, aijk, aijkl, angs_to_au, pi, deg_to_rad | ^ note: 'aijkl' was declared here geom_input.F:2902:72: 2902 | alpha = (cos(aijl) - d*cos(aijk)) / (1d0-d*d) | ^ Warning: 'aijl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2753:54: 2753 | double precision dkj, dkl, djk, djl, dklkj, aijl, djkl | ^ note: 'aijl' was declared here geom_input.F:2750:44: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2906:16: 2906 | if (orient .lt. 0) gamma = -gamma | ^ Warning: 'orient' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2750:62: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ note: 'orient' was declared here geom_input.F:6723:72: 6723 | BETA=PT5*ALPH | ^ Warning: 'alph' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6282:38: 6282 | double precision beta,alpha,alph | ^ note: 'alph' was declared here geom_input.F:6283:34: 6283 | integer n1,n2,n,itr,it,nn,ii | ^ Warning: 'ii' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:7081:10: 7081 | if (err .gt. err1) then | ^ Warning: 'err1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6955:27: 6955 | double precision err1, xmax, xmax1 | ^ note: 'err1' was declared here geom_input.F:7084:72: 7084 | call sym_geom_project(geom, max(0.1d0*xmax1,1d-6)) | ^ Warning: 'xmax1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6955:40: 6955 | double precision err1, xmax, xmax1 | ^ note: 'xmax1' was declared here Compiling geom_hnd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Making libraries in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling inp_irange.F... Compiling inp_ilist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Compiling input_parse.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling input_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling memory_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling input_set.F... Compiling input_title.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_inp_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling memory_def.F... Compiling speech_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] input_set.F:153:21: 153 | if (.not. status) call errquit | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] input_set.F:17:20: 17 | logical status ! accumulates return codes | ^ note: 'status' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Making libraries in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' Compiling pstat_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_term.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_alloc.F... Compiling pstat_on.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_off.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_pr_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_free.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_pr_han.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pstat_pr_det.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Making all in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' Compiling rtdb_f2c.c... Compiling rtdb.c... Compiling rtdb_seq.c... Compiling context.c... Compiling context_f2c.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ rtdb_seq.c: In function 'ma_print': context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ rtdb.c: In function 'rtdb_getfname': rtdb.c:219:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 219 | return status; | ^~~~~~ rtdb.c:181:7: note: 'status' declared here 181 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get': rtdb.c:376:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 376 | return status; | ^~~~~~ rtdb.c:337:7: note: 'status' declared here 337 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get_info': rtdb.c:419:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 419 | return status; | ^~~~~~ rtdb.c:382:7: note: 'status' declared here 382 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_ma_get': rtdb.c:500:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 500 | return status; | ^~~~~~ rtdb.c:442:7: note: 'status' declared here 442 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_first': rtdb.c:543:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 543 | return status; | ^~~~~~ rtdb.c:505:7: note: 'status' declared here 505 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_next': rtdb.c:587:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 587 | return status; | ^~~~~~ rtdb.c:548:7: note: 'status' declared here 548 | int status; | ^~~~~~ make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Compiling hdbm.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a hdbm.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Making libraries in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' Compiling task_energy.F... Compiling task_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_optimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_freq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_hessian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_thermo.F... Compiling task_save_state.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_et.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_shell_input.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_hessian.F:302:72: 302 | end | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_hessian.F:166:20: 166 | logical status, ignore, numerical, analytic | ^ note: 'status' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_num_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_vscf.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling task_dntmc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_bsse.F... Compiling task_jefftce.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_ncc.F... Compiling task_rfcf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_gwmol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:1586:72: 1586 | & j_mon_name(1:lenname) | ^ Warning: 'lenhess' may be used uninitialized [-Wmaybe-uninitialized] task_bsse.F:1419:21: 1419 | integer lenhess | ^ note: 'lenhess' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' Making libraries in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' Compiling dosymops.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ludcmp.F... Compiling mprint.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling opprint.f... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_put_geom.F... Compiling spgen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_map.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_nwc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_apply_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] gensym.f:314:13: 314 | isym=nops*3 | ^ Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] sym_vec_sym.F:99:36: 99 | integer isphcart, i_nbf_per_sh | ^ Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] Compiling sym_get_cart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_grp_name.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_ap_cart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_cent_map.F... Compiling sym_num_ops.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_ops_get.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_op_get.F... Compiling sym_pr_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_geom_prj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cross_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_op_cname.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_pr_ops.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_bs_irrep.F... Compiling sym_op_type.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_char_tab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_mo_adapt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_g_sym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wrcell.F... sym_bs_irrep.F:165:72: 165 | n = n + nbf_per_ir(ir) | ^ Warning: 'itrace' may be used uninitialized [-Wmaybe-uninitialized] sym_bs_irrep.F:25:35: 25 | integer class, op, ir, itrace, i | ^ note: 'itrace' was declared here Compiling dctr.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_irrepname.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_abelian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_mol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_sym.F... Compiling sym_mo_ap_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_bas_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_bs_ir_id.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_sh_pair.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' Making libraries in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Compiling output.f... Compiling errquit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ffflush.F... Compiling print_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_flush.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_sgroup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_host.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_iter_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_maxelt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nga_idamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_pcg_min.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling line_search.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_orth_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_ran_fill.F... Compiling ga_mix.F... ga_iter_diag.F:377:72: 377 | end | ^ Warning: 'converged' may be used uninitialized [-Wmaybe-uninitialized] ga_iter_diag.F:83:23: 83 | logical converged | ^ note: 'converged' was declared here Compiling ga_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_it_proj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_screen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_get_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_ch_brd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling two_ind_trn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_pname.F... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling sread.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling swrite.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling banner.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling util_print.F... Compiling util_module_avail.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cp util_v_stub.F util_version.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchem_version.F... Compiling util_ga_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchem_paper.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchem_srcdir.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling utilc_nwchem_srcdir.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mk_fit_xf.F... Compiling int_2c_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_solve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_local_mdot.F... Compiling util_cpusec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_wallsec.F... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:62:23: 62 | Integer NBF, Type, G_Tmp, G_S | ^ note: 'type' was declared here mk_fit_xf.F:206:23: 206 | If (DoSplit .AND. Type .eq. 1) then | ^ Warning: 'dosplit' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:61:29: 61 | Logical Status, DoSplit | ^ note: 'dosplit' was declared here Compiling gather.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_legal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_file_name.F... Compiling util_io_unit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_speak.c... Compiling util_rtdb_speak.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_file_copy.c... util_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) | ^ Warning: 'len_newchr' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_legal.F:316:24: 316 | integer len_newchr | ^ note: 'len_newchr' was declared here Compiling util_file_unlink.c... Compiling util_system.c... util_file_copy.c: In function 'util_file_parallel_copy': Compiling util_sleep.c... util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_rtdb_state.F... Compiling ecce_print.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_random.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling util_job.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_getenv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_getarg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchemrc.F... Compiling util_md.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_wall_remain.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_normf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling corr_mk_ref.F... Compiling nw_inp_from_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bgj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_ecce.F... Compiling get_density.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moeig_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_debug.c... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). nw_inp_from_file.F:46:72: 46 | end | ^ Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] nw_inp_from_file.F:1:44: 1 | logical function nw_inp_from_character(rtdb, string) | ^ note: '__result_nw_inp_from_characte' was declared here Compiling util_erf.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_cflush.c... Compiling util_ascii_plot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_length_scale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_it2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_lkain_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_print.F... Compiling freeze_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_extra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_test.F... Compiling util_ga_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util.c... Compiling util_patch_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_ndim_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_perf_test.F... Compiling util_test_lu.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_test_eig.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_dra_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_io.F... Compiling util_xyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling util_ma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_mpinap.c... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwsort.F... Compiling util_mygabcast.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_getppn.c... Compiling util_units.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_align.F... Compiling util_intrsc2008.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling ga_conjg.F... Compiling nwmolden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling ao_1prdm_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_1prdm_write.F... Compiling util_strips.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_poltensor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_mygop.F... Compiling util_isnan.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling util_scalapack.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_norm2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_dpofa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_dgedi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling linux_cpu.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling linux_shift.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making all in md5 Compiling util_version.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_scalapack_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:20: 824 | integer idim,i,j,k,l,m | ^ note: 'i' was declared here util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:24: 824 | integer idim,i,j,k,l,m | ^ note: 'k' was declared here ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling md5wrap.c... Compiling md5.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Compiling ga_matpow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_pack.F... Compiling dabssum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dabsmax.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dfill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ifill.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mabyte_fill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfill.f... Compiling ga_it_lsolve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_it_orth.F... Compiling ga_orthog.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling idamin.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_jacobi.F... Compiling util_rsg.f... Compiling stpr_sjacobi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_memcpy.c... Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a md5wrap.o md5.o ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_mirror.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling ga_copy_dz.F... Compiling dgami.f... echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a Compiling util_eri_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' Compiling util_test_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_sillysort.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_talker.c... Compiling icopy.f... Compiling dsum.f... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dgefa.f... util_talker.c: In function 'util_talker_': Compiling zsum.f... util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making libraries in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' (make lib ) || exit 1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' (cd ./src/c; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/c' Compiling clustrfix.c... Compiling mgscs.c... Compiling pscale.c... Compiling clustrxx5.c... Compiling clustrxx4.c... Compiling pstein4.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ mgscs.c: In function 'mgscs': Compiling pstein5.c... mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling peigs_dlasq1.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ clustrxx5.c: In function 'clustrinv5_': Compiling b_ortho.c... clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ Compiling chol_bcst.c... pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} Compiling choleski9.c... pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} peigs_dlasq1.c: In function 'peigs_dlasq1': Compiling ci_entry.c... peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ Compiling conjug22.c... Compiling de_sym.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling exit.c... Compiling exit2.c... Compiling forLL.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling forLU.c... Compiling gmax.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling inverse.c... Compiling lu_mxm2.c... Compiling mapdif.c... Compiling mapdif1.c... Compiling matmax.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ mapdif1.c: In function 'mapdif1_': Compiling mdif2b.c... mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... Compiling memreq_f.c... Compiling mgs5.c... Compiling mxm25.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... Compiling pdspevx.c... Compiling pdspgv_c.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} pdspev_c.c: In function 'pdspev': pdspevx.c: In function 'pdspevx': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling pdspgvx.c... pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pdsptri.c... Compiling peigs_cmod.f... Compiling pipe_fut.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pmmLSL.c... Compiling pmmLUL.c... Compiling pmmlsl2.c... Compiling pxerbla.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling qsort.c... Compiling resid.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... Compiling sonenorm.c... Compiling soort.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sort.c... Compiling sorteig.c... Compiling tred22.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling treesort3.c... sorteig.c: In function 'sorteig': Compiling tresid.c... Compiling util.c... sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling xerbla.c... Compiling mapchk.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling pdiff.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling pgexit.c... tresid.c: In function 'tresid': xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling reducemap.c... Compiling pstebz10.c... Compiling pstebz11.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld Compiling inv_it4.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ Compiling inv_it5.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ Compiling inv_it3.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling peigs_tldlfact.c... Compiling clustrf5.c... Compiling r_ritz.c... Compiling gdot.F... pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpeigs.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/c' (cd ./src/f77; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/f77' Compiling inverm.F... Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... Compiling heapsort.f... Compiling neblw2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling xstop.f... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/comm' Compiling mxbrod.F... Compiling mxcombv1.F... Compiling mxsubs.F... Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... mxbrod.F:84:20: 84 | integer srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:342:72: 342 | prtnr = nodel(prtlpos+1) | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ note: 'prtlpos' was declared here mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/comm' (cd ./ctof; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/ctof' Compiling bortho_f.c... Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling onenorm_f.c... Compiling ortho_f.c... Compiling pdspev_f.c... Compiling pdspevx_f.c... Compiling pdspgv_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspgvx_f.c... Compiling resid_f.c... Compiling residual_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling sonenorm_f.c... Compiling tresid_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling choleski_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling inverse_f.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/ctof' rm -f libpeigs.a ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpeigs.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpeigs.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' touch peigs_stamp.LINUX64 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Compiling perfm_start.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling perfm_end.F... Compiling perfm_flop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dist.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Compiling bq_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bq_data.F... Compiling bq_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libbq.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libbq.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libbq.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libbq.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Compiling cons_input.F... Compiling cons.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cons_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cons_springs.F... Compiling cons_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cons_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcons.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcons.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcons.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcons.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Making libraries in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Compiling intgrl_input.F... Making all in simint f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making all in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' Compiling nwcsim_module.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' Making all in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making all in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Compiling cando_sp.F... Compiling exact_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cando_sp.F:294:0: 294 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling exactd_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1cg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1e3ov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1estv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_2e3c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_acc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_canon.F... Compiling int_chk_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_chk_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_func_c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_init.F... Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_l1eke.F... Compiling int_l1eov.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1epe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_l2e2c.F... Compiling int_l2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_lgen1e.F... Compiling int_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_mpolel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_mpole.F... Compiling int_nint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_pgen1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_projpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling int_term.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1eh1.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:24: 103 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here int_mpole.F:316:72: 316 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:36: 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1eov.F... Compiling intd_1eke.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1er.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] int_projpole.F:168:72: 168 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_projpole.F:88:24: 88 | integer i_gen_save | ^ note: 'i_gen_save' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_2e2c.F... Compiling intd_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1e3ov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intbd_init4c.F... Compiling intbd_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intbdd_init4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_2e4c.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_mpolel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_1eh1.F... Compiling intdd_1eov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_2e2c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intp_1eke.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intp_1eov.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1epe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling intp_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intp_2e3c.F... Compiling intp_mpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling intp_1e1cpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intp_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intp_mpolel.F... intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:24: 83 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here intp_mpole.F:204:72: 204 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:36: 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling intp_txyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_1eov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_1epe.F... Compiling intpd_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then | ^ Warning: 'num_int' is used uninitialized [-Wuninitialized] intp_mpolel.F:121:46: 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling intpd_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_mpolel.F... Compiling intso_1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1eso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1epvpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1epxvpe.F... Compiling int_vstat1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intdd_1eecp1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1eelec.F... Compiling int_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaoh11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling int_giaol10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaos10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaotv10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaobq10.F... Compiling int_giao_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_pso.F... Compiling int_dso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_ops.F... Compiling intd_1epot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_angmom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaos100.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cosmo_screen.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_hf1sp.F... Compiling int_l2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ Warning: backslash and newline separated by space f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intb_init4c.F... Compiling intb_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Making all in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Compiling hf3PEabc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf3mkr.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf3pot.F... Compiling defNxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getNxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling matchNxyz.F... Compiling hf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf1mke3.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf1mkr.f... Compiling hf1set3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hferi_gen.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfnai_er.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling case_impl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Making all in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xlmcoeff.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xlm_norm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_spcart2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_norm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nmcoef.F... Compiling int_norm_2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_chk_sum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_spcart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nmcoef2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Making all in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Compiling sp1111.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qout70.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sinfo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sp0000.F... Compiling sp0001.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sp0011.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sp0101.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sp0111.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tabgen.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Making all in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfd2oi.f... Compiling hfderi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfdkei.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfdnai.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf2d_3a2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf2d_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hf1d_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' Making all in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' Compiling abcd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling texas_face.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling texas_hf.F... Compiling big_service.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling getmem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling amshift.F... Compiling assemblx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling spec_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cshneg.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling d_datlog.F... Compiling spec_calcint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling spec_destiny.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) Compiling memoha.F... texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) Compiling precalc2.F... spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling prepint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling lab_reorder.F... Compiling rt123.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling shells.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling time.f... Compiling zeroint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling missing.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling texas_stubs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] texas_stubs.F:7:0: 7 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling uniq_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1621:72: 1621 | fctsp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... spec_destiny.F:341:72: 341 | icfx(integ_n0)=iix(1) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][0]' was declared here spec_destiny.F:342:72: 342 | jcfx(integ_n0)=iix(2) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][1]' was declared here spec_destiny.F:343:72: 343 | kcfx(integ_n0)=iix(3) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][2]' was declared here spec_destiny.F:344:72: 344 | lcfx(integ_n0)=iix(4) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling trobsa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here spec_destiny.F:1115:72: 1115 | icfx(integ_n0)=iix(1) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][0]' was declared here spec_destiny.F:1116:72: 1116 | jcfx(integ_n0)=iix(2) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][1]' was declared here spec_destiny.F:1117:72: 1117 | kcfx(integ_n0)=iix(3) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][2]' was declared here spec_destiny.F:1118:72: 1118 | lcfx(integ_n0)=iix(4) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' Making all in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_c' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:43:24: 43 | integer n_zeta_c_c ! length of ecp coefficient array | ^ note: 'n_zeta_c_c' was declared here int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_e' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:42:24: 42 | integer n_zeta_c_e ! length of ecp exponent array | ^ note: 'n_zeta_c_e' was declared here Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2snorm.F... Compiling ecp_c2slower.f... Compiling ecp_c2srecur.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_cart_xpd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_contract.f... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_cstrans.F... Compiling ecp_down_m.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_gaussq.f... ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_int0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_int1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_int2.F... Compiling ecp_integral.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_matpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_matpr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_radint0.F... Compiling ecp_radint1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ecp_radint2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q0pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q2int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t2_ghq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_up_k.f... Compiling ecp_local0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_local1.F... Compiling ecp_local2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ecp_locint1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_skipint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ecp_t1_Q3pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q4int.F... ecp_locint1.F:169:72: 169 | wb = prefac*prefactor(j,i)*a_sqrt(j,i)**(p+1) | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ note: 'prefac' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_ind_var.f... Compiling ecp_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_hessian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_int2_k.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_local2_k.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Making all in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' Compiling hnd_vstat.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_whermt.F... Compiling hnd_rt123.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_root4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_root5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_droot.F... Compiling hnd_1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_set_acc.F... Compiling hnd_stvint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_sxyz.F... Compiling hnd_txyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_initd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_d1emem.F... hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_stvintd.F... Compiling hnd_dderij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_sd_ij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_dervxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_initdd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_dd1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_denxyz.F... Compiling hnd_terminate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaos10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaotv10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giagnm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giahnd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_spdgia.F... Compiling hnd_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_ops.F... Compiling hnd_dso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_wleg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_herxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_1emtpl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_ops.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_veloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_angmom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hnd_dipxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_dip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaos100.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' Making all in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling modelpotential_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling set_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_modelpotential.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_onel.F... Compiling rel_mpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rel_onel.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rel_pvp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_pot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_pot2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_2e4c_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_LLSS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_SSLL.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_SSSS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_init_con.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dmd_input.F... Compiling zora_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling x2c_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_oneld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rel_oneld_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_SSLLd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_SSSSd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Making all in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' Compiling int_1edk_ga.F... Compiling dk_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1edkso_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bas_create_uncont.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a intgrl_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Making libraries in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' Compiling orderd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling atcond.F... Compiling denat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hamild.F... Compiling outpud.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling teigd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pdfded.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tracd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cmergd.F... Compiling densid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling trafsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling creded.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling square.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tramad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling datoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling guess_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling starcd.F... Compiling writel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling printbasis.F... Compiling atscf_ecp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling atscf_atscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libguess.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libguess.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libguess.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libguess.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' Making libraries in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling comp4_insert.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_sym_adap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rhf_fock_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_lindep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_atom_blk.F... Compiling scf.F... Compiling scf_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling schwarz_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vectors_inp.F... Compiling int_1e_ga.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_pr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ga_orth_mos.F... scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling schwarz_tidy.F... Compiling int2e_balance.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vectors.F... Compiling scf_sym_scr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_cont_blk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mull_pop.F... Compiling matrix_exp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling schwarz_max.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_proj.F... Compiling movecs_rotate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_molden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ao_fock_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling movecs_lock.F... Compiling fock_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_et.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_a.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_1e_ga.F:706:72: 706 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:625:25: 625 | logical ocache_save | ^ note: 'ocache_save' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_aoints.F... int_1e_ga.F:423:72: 423 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] int_1e_ga.F:208:25: 208 | logical ocache_save | ^ note: 'ocache_save' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_b.F... Compiling fock_upd_blk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf.F... Compiling rohf_nr_sol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_wrap.F... Compiling rohf_canon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_precon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_shift.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_step.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_rotate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_get_info.F... Compiling rohf_hscale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_hxx.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_fock2g.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_movecs.F... Compiling rohf_h1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_h2e.F... Compiling rohf_hessv2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_phase.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_fock.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_init.F... Compiling riscf_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_tidy.F... Compiling riscf_trans.F... Compiling do_riscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_dovecs.F... Compiling rohf_scat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] riscf_list.F:101:40: 101 | logical function riscf_del_3c_ints (handle) | ^ Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf.F... Compiling uhf_hessv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_rep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] vectors.F:997:72: 997 | end | ^ Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] vectors.F:873:39: 873 | logical function movecs_converged(rtdb, basis, scftype, filename) | ^ note: '__result_movecs_converged' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling uhf_hessv2.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling print_integ_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling print_1eints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_square.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_io.F... Compiling movecs_pr_anal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_lagr.F... Compiling rohf_diis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rhf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling multipole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling ga_mat_to_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_frag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling localize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_dip_ga.F... Compiling fock_xc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_jkfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling uhf_jkfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) Compiling rohf_hessv3.F... fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e_cam.F... Compiling ga_get2eri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_frozemb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_hessv3_ext.F... Compiling uhf_hessv2_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:722:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 722 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:867:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 867 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_precond_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_hessv2_ext.F:102:72: 102 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] rohf_hessv2_ext.F:53:21: 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here Making all in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' scf_dump_evp_input.F:74:72: 74 | & action="write",status="replace") | ^ Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] scf_dump_evp_input.F:18:22: 18 | integer :: funit | ^ note: 'funit' declared here rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:3799:72: 3799 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:3758:21: 3758 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:2458:72: 2458 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:2418:21: 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:343:72: 343 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:303:21: 303 | & dims(3),chunk(3) | ^ note: 'dims' declared here Compiling fock_2e_task.F... Compiling fock_2e_slab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling fock_2e_lab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_labscal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_scale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_densc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling schwarz_atom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling comp4_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling schwarz_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling int2e_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_replicated.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Compiling xlm_poles.F... Compiling cheby.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fastj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling anlfit.F... Compiling cart_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gauleg.f... Compiling solver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vsint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pot_shell.F... Compiling fastj_direct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) Compiling fastj_range.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling newfmm.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling potential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling sint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here pot_shell.F:203:72: 203 | time_init = time_init + util_cpusec()-start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ note: 'start' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libddscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Making libraries in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' Compiling gradients.F... Compiling grad_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad1.F... Compiling scf_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_inp.F... Compiling ga_reorder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad2.F... Compiling grad_getdens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgradients.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgradients.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgradients.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgradients.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' Making libraries in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mointdriver.F... Compiling moints_1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_dbg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling moints_gsh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_mem.F... Compiling moints_mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_stats.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling moints_full.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sifs0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling sifs1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:25: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'chunk' was declared here sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:18: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'nbig' was declared here moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) sifs1.F:2034:72: 2034 | do 250 i = (i1+skipd), i2 | ^ Warning: 'skipd' may be used uninitialized [-Wmaybe-uninitialized] sifs1.F:1914:36: 1914 | & jsym, j1, numtx, skipd, j2 | ^ note: 'skipd' was declared here Compiling moints_cutil.c... Compiling moints_aodisk.F... Compiling moints_2x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_6x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_semi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_aux2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmoints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmoints.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmoints.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmoints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' Making libraries in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Compiling nwdft.F... Making all in include f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' Making all in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Compiling dft_inpana.F... Compiling dft_input.F... Compiling dft_rdinput.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tol_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_inp.F... Compiling conv_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cdft_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling occup_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:350:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 350 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:485:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 485 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:488:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 488 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:621:24: 418 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 621 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:926:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:928:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 928 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:209:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 209 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1093:28: 1075 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1093 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1114:55: 1072 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1114 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Making all in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Compiling dft_swapab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_main0d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_scf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling print_irrep_occp.F... Compiling dft_fockbld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_scfutil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_symbr.F... Compiling dft_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fukui.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_canorg.F... dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_diagn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_dump_info.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_fant.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_printinfo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_fock_efield.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:31: 81 | double precision time1_ke,time2_ke | ^ note: 'time1_ke' was declared here dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:40: 81 | double precision time1_ke,time2_ke | ^ note: 'time2_ke' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:32: 82 | double precision time1_pot,time2_pot | ^ note: 'time1_pot' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:42: 82 | double precision time1_pot,time2_pot | ^ note: 'time2_pot' was declared here dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:404:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 404 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:407:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 407 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:458:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 458 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:741:61: 362 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 741 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1099:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1099 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_scf.F:1100:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1100 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1101:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1101 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1102:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1102 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1106:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1106 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1751:32: 1749 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1750 | call ecce_print1 ('iterative total energy difference', 1751 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2444:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2444 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2446:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2446 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dft_frac_mo.F... dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_nwmolden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_spinflip.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_diagn.F:172:72: 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_diagn.F:53:28: 53 | double precision time1,time2 | ^ note: 'time1' was declared here dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_quickguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' dft_canorg.F:468:72: 468 | dft_nonzvecs=max(noc,dft_nonzvecs) | ^ Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] dft_canorg.F:412:35: 412 | integer function dft_nonzvecs(g_vecs,nbf,noc) | ^ note: '__result_dft_nonzvecs' was declared here dft_scf.F:1573:13: 1573 | if(lvan) then | ^ Warning: 'lvan' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:56:18: 56 | logical lvan, do_ddl, lbrak, check | ^ note: 'lvan' was declared here dft_scf.F:1287:72: 1287 | & time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:28: 206 | double precision time1,time2 | ^ note: 'time1' was declared here dft_scf.F:1287:72: 1287 | & time2-time1 | ^ Warning: 'time2' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:34: 206 | double precision time1,time2 | ^ note: 'time2' was declared here Compiling dft_dencvg.F... Compiling dft_densm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_invdiag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_mxovl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_mxspin_ovlp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_s2_value.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_scfcvg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_bld12.F... Compiling diis_bsolve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling diis_core.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cdft_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Making all in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_cg_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_cg_guess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_cg_solve.F... Compiling dft_get_conv_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_roks_energy.F... Compiling dft_roks_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_roks_hessv_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_roks_hessv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_roks_hessv_xx.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_nr_solve.F... dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_roks_search_precond.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_roks_step_energy.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_uks_energy.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_uks_hessv_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_uks_hessv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:31: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:41: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:51: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:61: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_roks_fock.F:110:31: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:41: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:51: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:61: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_nr_solve.F... dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:32: 58 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:43: 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:31: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:41: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:51: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:61: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:31: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:41: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:51: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:61: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:32: 46 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:43: 46 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Making all in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Compiling dft_scf_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_densmso.F... Compiling dft_mxovlso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_force_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_gradients_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vectors_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling grad_dens_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling grad1_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_driver_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_bsolve_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_bld12_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_scf_so.F:310:37: 304 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 310 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:707:60: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 707 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1288:48: 1253 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1288 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1885:32: 1883 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1884 | call ecce_print1 ('iterative total energy difference', 1885 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2315:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2315 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2340:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2340 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling diis_core_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling diis_hamwgt_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling diis_refvec_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_anal_so.F... Compiling getv_coul.F... Compiling getv_exch0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling getv_exchX.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getv_exchY.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getv_exchZ.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... Compiling sym_char_tab_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1759:72: 1759 | ihigh = nfilled + nmo_fon + nmo_fon2 | ^ Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] dft_scf_so.F:60:21: 60 | integer nfilled, ilow, ihigh | ^ note: 'nfilled' was declared here Compiling ga_orthog_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_op_cname_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_dens_so2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_scf_utils_so.F... sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 | ^ Warning: 'pair' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] sym_mo_adapt_so.F:43:53: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'pair' was declared here sym_mo_adapt_so.F:349:72: 349 | irs(i) = i1 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:47: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_frac_mo_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_exso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling getv_coul_cd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vectors_so.F:676:72: 676 | end | ^ Warning: '__result_movecs_converged_so' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:575:42: 575 | logical function movecs_converged_so | ^ note: '__result_movecs_converged_so' was declared here vectors_so.F:917:72: 917 | end | ^ Warning: '__result_spinor_guess' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:859:35: 859 | logical function spinor_guess(filename) | ^ note: '__result_spinor_guess' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Making all in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Compiling dft_3cincor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_mem3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_fitcd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_fitvc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_getvc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_n3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Making all in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Compiling xc_getv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_getvxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_exact_pot.F... Compiling xc_sicutil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling chk_dens.F... Compiling xc_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_chkdispauto.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vdw_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling 2ndDerivB97.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:592:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ 2ndDerivB97.c:593:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 593 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling xc_eval_basis.F... Compiling a_dist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eumac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qdist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scat_mat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling setACmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_becke88.F... Compiling xc_dirac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_bnl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_dirac_screened.F... Compiling xc_fitv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_hfexch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_lebedev.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_lyp88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_perdew86.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_perdew91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_pw91lda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_pw91ldag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_rhogen.F... Compiling xc_tabcd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_eval_fnl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_fd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_pbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_hcth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xpw91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_tarad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_murakn.F... Compiling xc_mitani.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_mitani_dmr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_signf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_gill96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xmpw91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cMpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_xtpss03.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_ctpss03.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_oep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_sic_pert.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_sic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling localize_sic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_optx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_optc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_atomblock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_replicated.F... Compiling xc_ft97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_lb94.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cs00.F... Compiling xc_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_kop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_pbe96.F:1420:72: 1420 | Ec = Ec+nepsc*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_bc95.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xm05.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cm05.F... Compiling xc_xpw6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xvs98.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cvs98.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at1' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xm06.F... Compiling xc_cm06.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_s12x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cams12x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_camb88.F... Compiling xc_att_xc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_camxpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_camxlsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xwpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hse08fx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xsogga.F... Compiling xc_xmvs15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xm11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xmn12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa0' was declared here xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here Compiling xc_xmn15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_csogga.F... Compiling xc_cm11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling steric_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_3rd_deriv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xpw86.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xb86b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ts_eval_fnl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ts_tf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ts_vw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xn12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xscan.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling xc_cscan.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ note: 'cc00' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ note: 'cc01' was declared here xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_xscanl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_cscanl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ts_pc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xncap.F... xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:310:72: 310 | dxda = 2d0*rB2*exp2*x2*(2d0*rB3*oma2 - 1d0)*dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ note: 'dregalpha' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:298:72: 298 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:329:72: 329 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[1]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:338:72: 338 | dFxdt = dFxda*dadt | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadt' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'dfcada' was declared here xc_cscan.F:323:72: 323 | dalphadn = 5d0/3d0*(p/ds-alpha)*tueg/((tueg+1d-4*ds)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:338:72: 338 | dfcadg = dfcada*dalphadg | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:330:72: 330 | dfcadn = dfcada*dalphadn | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cr2scan.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cr2scanl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_hcth_extra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_rhogen_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_tabcd_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_vdw_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vdw_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' xc_vdw_init.F:206:34: 206 | subroutine init_c6_params_d3 | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Making all in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_print_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_save_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_gather.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_tstamp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_frozemb_fde.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_1e_fde.F... Compiling sca_lab_mat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_utilmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_genutils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_cholinv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Making all in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Compiling grid_sic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_checks.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_balance.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_rtrunc.F... Compiling grid_atom_type_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_setquad.F... Compiling grid_setrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_setang.F... Compiling grid_invariant.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setspac_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_acc_def.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_update_rtdb.F... grid_list.F:143:25: 143 | if (r.lt.r1) then | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:28: 32 | double precision r, r1, r2, r3, | ^ note: 'r1' was declared here grid_list.F:145:41: 145 | elseif (r.ge.r1.and.r.lt.r2) then | ^ Warning: 'r2' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:32: 32 | double precision r, r1, r2, r3, | ^ note: 'r2' was declared here grid_list.F:149:41: 149 | elseif (r.ge.r2.and.r.lt.r3) then | ^ Warning: 'r3' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:36: 32 | double precision r, r1, r2, r3, | ^ note: 'r3' was declared here grid_list.F:151:41: 151 | elseif (r.ge.r3.and.r.lt.r4) then | ^ Warning: 'r4' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:33:25: 33 | & r4, RR, q1 | ^ note: 'r4' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_tasks.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_gen_pts.F... Compiling grid_setspac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_acc_def.F:336:57: 317 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 336 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:598:56: 420 | & job_grid_acc)) | 2 ...... 598 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_neighb.F... grid_checks.F:66:72: 66 | iangquad=iag_old | ^ Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] Compiling grid_cleanup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_checks.F:31:42: 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old | ^ note: 'iag_old' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_gaussq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_finpts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_init.F... Compiling grid_loop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_xcfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_loop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_pscreen.F... Compiling grid_sphere.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling grid_ssw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_sswold.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_beckew.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_signf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_quadvw.F... Compiling grid_quadvw1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling grid_bucket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_utils.F... Compiling grid_sympts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_qpts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_quadv0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_quadv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_quadv0b.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_quadvc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_file.F... Compiling grid_eaf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Making all in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Compiling dft_grad_top.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_getxc.F... Compiling dft_gradients.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_dft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_getcden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_getxden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dftg_gridpart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_gridv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_gridv0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dftg_gridv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_griddo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' dftg_getxc.F:218:72: 218 | tol_rho = tol_rho_scf | ^ Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] dftg_getxc.F:50:34: 50 | double precision tol_rho_scf ! store scf tol_rho before hack | ^ note: 'tol_rho_scf' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_cdfit.F... Compiling dftg_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_grad2.F... Compiling dint_block_j.F... Compiling j_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dftg_beckew.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_wderiv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_gridssw.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_gridsswold.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Making all in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Compiling tddft_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_init.F... Compiling tddft_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_memory.F... Compiling tddft_iguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_davidson.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_transfm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_contract.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_epsilon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_subspace.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_diagon.F... tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_residual.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_analysis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_dftinit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_finalize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_schmidt.F... Compiling tddft_fold.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_bdtensor.F... tddft_analysis.F:241:46: 216 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 241 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1756:53: 1439 | + 1,osc_str)) then | 2 ...... 1756 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tddft_analysis.F:1775:40: 1439 | + 1,osc_str)) then | 2 ...... 1775 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1783:40: 1439 | + 1,osc_str)) then | 2 ...... 1783 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_patch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_s2.F... Compiling tddft_simpleso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_lanczos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_lanczos_tda.F... Compiling tddft_dipole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_prod_v.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_basis.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_analysis.F:1119:20: 1119 | if (lvelok) then | ^ Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] tddft_analysis.F:149:20: 149 | logical lvelok ! check for division by zero in vel. gauge | ^ note: 'lvelok' was declared here tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_fock_fit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... Compiling tddft_grad_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_finalize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_print_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_ints.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_print_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_e.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_trans_mo2ao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_solve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_trans_mo2ao.F:196:72: 196 | ahi(1) = ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_mo2ao.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_epsilon.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_ao2mo.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_solve_product.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_solve_precond.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_g.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_dao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_g.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_make_2pdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_print_result.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_print_array.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_anti_symmetrize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_gxc.F... tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_irreg_acc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_fxc_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_grad_irreg_acc.F:149:72: 149 | ld(2) = lenk | ^ Warning: 'lenk' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_irreg_acc.F:63:18: 63 | integer lenk ! the number of consequetive functions in the | ^ note: 'lenk' was declared here Compiling tddft_grad_fix_exc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_store_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_util_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_solve_load_x.F... Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_dfxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_dvxc.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_mpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Making all in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' Compiling dft_zora_utils.F... Compiling dft_zora_utils_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_zora_rhos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_zora_rhos_so.F... Compiling gridNuclearPotential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gridHartreePotential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gridQpqPotential.F... Compiling grid_moments.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling zora_getv_EFGZ4_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_EFGZ4_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_getv_EFGZ4_SO.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_EFGZ4_SO.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_zora_NMR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_getv_NMRCS_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling calc_zora_NMRCS_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_zora_EPR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_EPR-NMR_tools.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_getv_EPR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_EPR.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). Compiling dft_zora_Hyperfine.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_HFine.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling calc_zora_HFine.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_getv_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_so.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_EFG.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_sf.F... zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_zora_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_facs.F... dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling get_ints_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_recalc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' Making all in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' Compiling dft_vspec.F... Compiling dft_vspec_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_xps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_polfromsos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' Making all in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Compiling rt_tddft.F... Making all in matutils f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling convert_d2z.F... Compiling convert_z2d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pack_buffer2ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pack_ga2buffer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling matutils.F... Compiling dmat_io.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_diag.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_inv.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_checksum.F... Compiling zmat_spectral_range.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling zmat_max_abs_elem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_compare.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling elem_compare.F... Compiling calc_array_partitioning.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' Making all in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_moocc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_atpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_snapshot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_geom_mask.F... Compiling rt_tddft_estimate_rem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_vec_quad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_excite.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_zdens_tot_movecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_mocap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_spatialcap.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatial_potential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_complex_evals.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Making all in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... Compiling rt_tddft_input_field.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_input_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_input_excite.F... Compiling rt_tddft_input_tolerances.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_input_visualization.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_input_mocap.F... Compiling rt_tddft_input_spatialcap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:212:72: 212 | qmin(1) = qmin(1)*posconv | ^ Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] rt_tddft_input_spatialcap.F:37:33: 37 | double precision :: posconv | ^ note: 'posconv' was declared here rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' Making all in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_init_dip_quad_ints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_init_fock2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_geoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_check_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_init_overlap_canorg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_common.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_clean.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_rt_tddft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' Making all in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling canorg_clean.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling canorg_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' Making all in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling exp_pseries.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling prop_euler.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling prop_magnus_exp_bch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_magnus_exp_bch_scaled.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_magnus_ord2_interpol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_magnus_ord2_step.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_rk4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' Making all in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_core.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_coul_exchre.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_coul.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_cs_confirm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_tdfock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Making all in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_os_core_scalarzora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_os_exch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_os_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_os_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a rt_tddft.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Making all in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Compiling nwchem_libxc_read.F... Compiling nwchem_libxc_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwchem_libxc_compute.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Making all in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling x2c_getw_moment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_1e_scalar_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_efg_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_moment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_hfc_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling x2c_scf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_utils.o x2c_scf.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a nwdft.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Making libraries in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' Compiling rimp2_v_e2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mk_1d_shdist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_by_shells.F... Compiling xf3ci_step12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xf3ci_step3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xform_3cints.F... Compiling occ_ranges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rimp2_xf.F... Compiling close_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling open_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_3cints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_3cints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rimp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dgecop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lnblnk.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling max_v_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rimp2_parm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rimp2_timers.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pr_corr_map.F... Compiling prog_report.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xf3ci_mem12.F... Compiling iamax.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rimp2_e_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rimp2_denom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sum_pairs.F... Compiling xf3ci_s12a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xf3ci_s12b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eval_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/librimp2.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/librimp2.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/librimp2.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/librimp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' Making libraries in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_clnstp.F... Compiling stpr_cneed.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_cross.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN | ^ Warning: 'lsym' may be used uninitialized [-Wmaybe-uninitialized] Compiling stpr_driver.F... stpr_chkhess.F:11:18: 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here Compiling stpr_fndmde.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_formup.F... Compiling stpr_gmass.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_hesupd.F... Compiling stpr_hmass.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_inihes.F... Compiling stpr_face.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_locate.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_pmat.f... Compiling stpr_prntpd.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_setmass.f... Compiling stpr_stepcor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_walk.F... Compiling stpr_datestp.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling distang.F... Compiling stpr_gh_at.F... Compiling stpr_gen_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_filenames.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stepper_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stpr_gen_aux.F:284:72: 284 | end | ^ Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] stpr_gen_aux.F:216:47: 216 | logical function stpr_check_genat_restart( | ^ note: '__result_stpr_check_genat_res' was declared here stpr_gh_at.F:874:12: 874 | if (ogeom_aliased) then | ^ Warning: 'ogeom_aliased' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:59:27: 59 | logical ogeom_aliased | ^ note: 'ogeom_aliased' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg1' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:34: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg1' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg2' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:47: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg2' was declared here Compiling stpr_partit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libstepper.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libstepper.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libstepper.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libstepper.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' Making libraries in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' Compiling opt_drv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling oniom.F... Compiling lbfgs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lbfgs-b.F... Compiling lbfgs-b_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling lbfgs_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lbfgs_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling socket_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). lbfgs-b.F:3121:41: 3121 | integer pointr,m2,col2,ibd,jy,js,i,j,k | ^ Warning: 'ibd' may be used uninitialized [-Wmaybe-uninitialized] lbfgs-b.F:1464:72: 1464 | t(nbreak) = tl/(-neggi) | ^ Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] lbfgs-b.F:1392:28: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ note: 'tl' was declared here lbfgs-b.F:1392:25: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:18: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowx' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:29: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowy' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:40: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowz' was declared here opt_drv.F:2815:72: 2815 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:47: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here opt_drv.F:2816:72: 2816 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:51: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here opt_drv.F:2817:72: 2817 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:55: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here Compiling driver_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdriver.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdriver.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdriver.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdriver.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' Making libraries in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' Making all in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Compiling deloc_driver.F... Compiling deloc.F... Compiling deloc_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Making all in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Compiling mepgs_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mepgs_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:47: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here mepgs_drv.F:2300:72: 2300 | work(i3+2,k) = mass*yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:51: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here mepgs_drv.F:2301:72: 2301 | work(i3+3,k) = mass*zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:55: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here mepgs_drv.F:3106:72: 3106 | itlamb = lower + 1.0d-5 | ^ Warning: 'lower' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:3087:58: 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2804:26: 2804 | integer iact, lowest | ^ note: 'lowest' was declared here mepgs_drv.F:54:72: 54 | energy = energyts | ^ Warning: 'energyts' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:21:31: 21 | double precision energyts | ^ note: 'energyts' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Making all in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Compiling tropt_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tropt_drv.F:1833:72: 1833 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:47: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here tropt_drv.F:1834:72: 1834 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:51: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here tropt_drv.F:1835:72: 1835 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:55: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here Compiling tropt_input.F... tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp1' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:27: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp1' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp2' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:32: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp2' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2697:14: 2697 | if (eigval(hfollow).gt.-eigval(bmin)) lambda = eigval(lowest) | ^ Warning: 'bmin' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:24: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'bmin' was declared here tropt_drv.F:2691:10: 2691 | if (abs(gv(lowest)).lt.1.e-8) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:32: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'lowest' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Making all in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' Compiling neb_drv.F... Compiling neb_utils.F... Compiling neb_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bead_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' Making all in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' Compiling string.F... Compiling string_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a string.o string_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' Making libraries in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... Compiling cphf_solve.F... Compiling cphf_solve2.F... Compiling cphf_solve3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cphf_solve4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:166:11: 159 | $ lshift)) lshift=0.0 | 2 ...... 166 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:238:61: 235 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 238 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcphf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcphf.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcphf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcphf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' Making libraries in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... Compiling ccsd_sortmo.F... Compiling geaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccden_2pdma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccden_2pdmb.F... Compiling ccden_interm4.F... Compiling ccsd_mktau_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoccsd2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_itm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_itm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t2pm.F... Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_idx34.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_tengy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_trpdrv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_trpdrv_nb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_trpdrv_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_trpdrv_omp_mixprec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling moints_trp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_get_param.F... Compiling ccsd_iterdrv2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_trpmo.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd_rdtrpo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cputime.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rddcom.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_zvecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_pzamp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_zsig1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_zsig2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling convert_single_double.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_aosig.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccsd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccsd.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccsd.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccsd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' Making libraries in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_dsquar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_dtrngl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling vib_eckart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_gtors.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_hmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_libe.F... Compiling vib_nmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_prdata.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_prntpd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_rdinp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_setup.F... Compiling vib_transp.F... Compiling vib_tors.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_vib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_wmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_wrtfreq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_zmatin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_intense.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_istep.F... Compiling vib_thermo.F... Compiling vib_phonon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_zone_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_input.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) vib_phonon.F:1076:43: 1076 | real*8 dx,dy,dz,x,y,z,d2,d2min,qrmin,fac | ^ Warning: 'qrmin' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[2]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[0]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[1]' was declared here Compiling vib_callg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvib.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvib.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' Making libraries in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Compiling mcscf.F... Compiling mcscf_b.F... Compiling mcscf_aux.F... Compiling mcscf_ci.F... Compiling mcscf_etr.F... Compiling mcscf_fcore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling mcscf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling mcscf_hdiag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_ohv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_ohv1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_ohv2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_ohvao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_ohvmo.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_prcnd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_debug.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Making all in detci mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling detci_aux.F... Compiling detci_intf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) detci_aux.F:1140:72: 1140 | 110 cfg(nela+i,1) = kx(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] detci_aux.F:1090:17: 1090 | integer i,j,ii,jj,nopen,noorb,isym | ^ note: 'j' was declared here Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmcscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Making libraries in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' Compiling prepar.F... Compiling pre_admin.F... Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_atnam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_atnum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_atom_index.F... Compiling pre_atrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_atype.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_base.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_bnd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_bonds.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_boxsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_charge.F... Compiling pre_check.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_collaps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_crop.F... Compiling pre_dih.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_dihimp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_dihsel.F... Compiling pre_dimens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_disres.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_dummy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_equiv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_excl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_ffield.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_fix.F... Compiling pre_frgsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_frgrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_gensgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[0]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[0]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[1]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[1]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[2]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here Compiling pre_his.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_hnames.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_hybrid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_imp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_links.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_master.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_merge.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_misfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mkfrg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mklist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_mknoe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_mkrst.F... Compiling pre_mkseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mksgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mktop.F... Compiling pre_modify.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_multip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_namiup.F... Compiling pre_natyps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_nonbon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_nucleic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_orient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_params.F... Compiling pre_parcnv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_paths.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_paths2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_pdbseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_pdbsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_protein.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_rstmod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdrst.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pre_rdseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdsgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_removw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rename.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_repeat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rotate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rstsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rtdbin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_select.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_sgmfil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_sgmndx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_sgmnum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_sgmsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_short.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_slvnum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_slvrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_slvsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_solvat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_term.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_third.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_toprd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_topsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_torang.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_transl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtnam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtnoe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtrst.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtsgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrttop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_impctr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libprepar.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libprepar.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libprepar.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libprepar.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' Making libraries in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_getden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_fit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_getg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_getx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_grdcnt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_malloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_matinv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_out.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_plt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_rms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_rtdbin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_wrtinp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling esp_jacobi.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libesp.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libesp.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libesp.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libesp.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' Making libraries in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Compiling hess_blas.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_input.F... Making all in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Making all in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' Compiling hess_anal.F... Compiling hess_init.F... Compiling hess_energyinit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_check.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nucdd_cont.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling nucdd_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling oned_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling onedd_cont.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling get_wdens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling onedd_calc.F... Compiling hess_dipder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling twodd_cont.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling twodd_coul_ex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling shell_fock_build.F... Compiling xc_d2expl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling shell_fock_build_cam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_cphf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_pxfy.F... Compiling hess_sxsy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling sx_dra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_wrt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_hssout.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hess_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hess_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling dft_3dacc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Making libraries in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... Compiling loadw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rdhint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rdhcon.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prtcon.f... tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling readh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling selci_renorm.f... Compiling selci_sread.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling selci_swrite.f... Compiling pkcon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... Compiling fcidim.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling axb.f... Compiling axbt.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gettim.f... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling davids.F... Compiling sigma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling conf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling loada.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling mkinta.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pconls.F... Compiling makeh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mkindb.f... Compiling eij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eijeji.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling makehd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling makef.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling loadg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling makehs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eirerj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling loadab.F... Compiling couple.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eijil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mknsneed.F... Compiling eijkl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling putinb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling inicij.F... Compiling ointer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling oeq.f... Compiling selci_select.F... Compiling selci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ptidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling anal.F... Compiling mkindx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling slect.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tester.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mkdele.F... Compiling mkvc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling e0mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mpdele.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stool.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling restk.F... Compiling restin.F... Compiling orbanal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling selci_hpp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mxma.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Making libraries in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' Compiling dplot.F... Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dplot_defgrid.F... Compiling dplot_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dplot_dos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_rdm_read.F... Compiling get_transden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_diffden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dplot.F:448:72: 448 | Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdplot.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdplot.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdplot.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdplot.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' Making libraries in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' Compiling mp2_grad.F... Compiling mp2_energy.F... Compiling mp2_grad_doit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_make_cphf_rhs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_make_tot_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mp2_grad_doit.F:179:51: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 2 ...... 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mp2_pstat.F... Compiling mp2_input.F... Compiling mp2_make_nos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_make_piy.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_back_transform.F... Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... Compiling mp2_lai_uhf.F... Compiling mp2_wijab_uhf.F... Compiling mp2_lai_fock_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mp2_make_tuhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmp2.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmp2.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmp2.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' Making libraries in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' Compiling qhop_setup.F... Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... Compiling qhop_pindex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qhop_final.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqhop.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqhop.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqhop.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqhop.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' Making libraries in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Compiling hnd_efgmap.F... Compiling hnd_efgmap_z4.F... Compiling hnd_elfmap.F... Compiling hnd_elpmap.F... Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hnd_elfcon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_elfcon_symm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:255:49: 253 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 254 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 255 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_mulken.F... hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling wnbofile.F... Compiling wefgfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling whypfile.F... Compiling wgshiftfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wshldfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_prp_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_prp_vec_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling giaofock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_giaox.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_hyperfine_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_gshift_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_giaox_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giao_1ega.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_spinspin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:171:72: 171 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling hnd_sdfc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_psoten.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] hnd_spinspin.F:318:54: 310 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 318 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling hnd_dsoten.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_atom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling aoresponse_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_driver_new.F... Compiling int_mpole_1ega.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling aoresponse.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_beta.F... Compiling aor_write_roadata.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_beta2.F... Compiling fiao_f1_movecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_r1_tensor.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aor_r1_tensor_giao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aor_r1_beta.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_beta_anl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling giao_b1_movecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling get_vecB1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_vecF1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aor_get_fiaoints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling aor_get_giaoints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_giao_rhs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_alfaorbeta_reim.F... Compiling CalcPerturbedTDPmat1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CalcPerturbedTDPmat1_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling localization_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here localization_driver.F:496:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 496 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:542:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 542 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pm_localization.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_raman.F... Compiling aor_r1_beta_anl_tools.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling raman_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling raman.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling waimfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_eldmap_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:643:72: 643 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling prop_moldenfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1164:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1164 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling prop_polfromsos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o pm_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Making libraries in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... Compiling mnsol.F... Compiling solv_data.F... Compiling cosmo_smd_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling cosmo_input.F... Compiling cosmo_initialize.F... Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... Compiling cosmo_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad_hnd_cos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_cosmo_lib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_coschg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cosmo_thomson.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:936:17: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 936 | d dbl_mb(i20))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_coschg.F:1223:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1223 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1227:53: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 1227 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1295:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1295 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libsolvation.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libsolvation.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libsolvation.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libsolvation.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' Making libraries in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_default.F... Compiling nwpw_input.F... Compiling nwpw_vectors_input.F... Making all in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Making all in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Compiling Parallel-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Compiling D1dB-mpi.F... Compiling D1dBs-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling D3dBs-new.F... Compiling generate_map_indexes.F... Compiling hilbert.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hcurve.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling olist.c... Compiling trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling D3dB_pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling D3dBs_pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling D3dB-mpi.F... Compiling D3dBs-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a Pneb.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ffw_multiply_omp_group.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making all in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' Compiling control.F... Compiling psi_get_ne.F... Compiling psi_get_version.F... Compiling psi_get_header.F... Compiling cpsi_get_header.F... Compiling rho_check_header.F... Compiling get_psp_type.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' Making all in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' Compiling lattice.f... Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... Compiling cram.F... Compiling balance.F... Compiling c_balance.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling G_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_G_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling strfac.F... Compiling cstrfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' Making all in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' Making all in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Making all in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' Compiling center.f... Compiling incell1.f... Compiling ion_FixIon.F... Compiling incell2.f... Compiling unfold.f... Compiling incell3.f... Compiling xyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling katm_list.F... Compiling fcoord.f... Compiling ion.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling seperate_molpsp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling seperate_pointcharge.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ion_scaling_atoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling molecular.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_molecule.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_atom.c... Compiling pspw_bond.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... Compiling hgh_parse.c... Compiling cpi_parse.c... Compiling teter_parse.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling carter_parse.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_parse.c... Compiling get_word.c... Compiling name.c... Compiling loggrid.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ Compiling pred_cor.c... Compiling spline.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ teter_parse.c: In function 'teter_parse_': In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... Compiling schrodin.c... Compiling pauli.c... Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ pauli.c: In function 'R_Pauli_Fixed_E': atom.c: In function 'solve_Atom': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling zora.c... Compiling dft.c... Compiling hartree.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ Compiling dirac_exchange.c... dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ Compiling perdew_wang.c... Compiling perdew_zunger.c... Compiling vosko.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... Compiling revpbe_exchange.c... Compiling revpbe_correlation.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... Compiling lyp_correlation.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... Compiling xpansion.c... troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling gaussj.c... Compiling vanderbilt.c... pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ Compiling xpansion2.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ Compiling psp1d.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ Compiling generate_rho_semicore.c... gaussj.c: In function 'gaussj': gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ Compiling debug.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ Compiling rhamann.c... Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Making all in paw_atom rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... Compiling paw_atom.c... Compiling paw_basis.c... Compiling paw_scattering.c... Compiling paw_schrodin.c... Compiling paw_pauli.c... Compiling paw_orbitals.c... Compiling paw_kinetic_energy.c... Compiling paw_potential.c... Compiling paw_dirac_exchange.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_vosko.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': Compiling paw_hartree.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... Compiling paw_sdir.c... Compiling paw_my_memory.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_list.F... Compiling nwpw_spline.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_interp.F... Compiling kerker_G.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpmd_properties.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_rdf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pair_dist.F... Compiling pair_dist2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pair_distab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling auto_corr.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling generate_unfolded_xyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling matrix.f... Compiling simp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling is_sORd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling psi_filefind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_psi_filefind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getfilling.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling CIF_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling densityofstates.F... Compiling MOTION_nframes.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling spdf_name.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cell.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cellgeometry.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpsi_data.F... Compiling psi_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling butter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling print_elapsed_time.F... Compiling log_integrate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling analysis_expansion_coef.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_double_factorial.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_kbpp_ray.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_talker.c... Compiling nwpw_expression.F... Compiling BA_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling nwpw_emachine.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling btdb.F... Compiling beom.F... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_paulsmatrix.F... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ Compiling nwpw_cosmo.F... nwpw_emachine.c: In function 'nwpw_emachine': f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling nwpw_born.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_cdft.F... Compiling nwpw_fftpack3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... Compiling nwpw_gintegrals3.F... Compiling nwpw_xc.F... Compiling nwpw_vosko.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_gauss_weights.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Making all in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... Compiling brillioun.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling frac_occ.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Making all in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' Making all in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' Making all in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' Compiling ewald.F... Compiling ewald_strfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' Making all in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... Compiling metadynamics_aux.F... Compiling metadynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... Compiling tamd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' Making all in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' Compiling fmm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a fmm.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' Making all in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling md_xs_input.F... Compiling md_xs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling feff6Lib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here feff6Lib.F:11528:72: 11528 | fz1 = fzn+20.0d0*(fz3-fzn)*(blx-xbl+0.05d0) | ^ Warning: 'xbl' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:11512:15: 11512 | xbl = 0.05d0 * (xjbl-1.0d0) - 8.8d0 | ^ note: 'xbl' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' feff6Lib.F:2111:72: 2111 | xk0 = delk * (i-1) + xkmin | ^ Warning: 'xkmin' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:2030:17: 2030 | xkmin = n * delk | ^ note: 'xkmin' was declared here make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_nwchem.F... Compiling nwpwxc_vdw3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_camlsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_campbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_cams12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_dirac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_ft97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_m05.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_sogga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_tpss03.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_wpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_vs98.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_b95.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_m05.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_p91_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_pw91lda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_sogga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_pbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_tpss03.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vs98.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn1_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn2.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_vdw3b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_vdw3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ Compiling nwpwxc_x_b97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_b97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_xc_kt1.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3b.F:1337:6: 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] Compiling nwpwxc_c_spbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_ssbD_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_perdew81.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_perdew86.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_pw91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ Compiling nwpwxc_x_pw6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_b86b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_scan.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_scan.F... ./build_dftd3a.sh f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] using existing dftd3.tgz patching file nwpwxc_vdw3a.F nwpwxc_vdw3b.F:1139:9: 1139 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxc_vdw3a.F:1785:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1785 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1786:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1786 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1787:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1787 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2373:41: 1788 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2373 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(2)). nwpwxc_vdw3a.F:2458:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2458 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2459:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2459 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2460:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2460 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2461:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2461 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2564:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2564 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2565:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2565 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2605:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2605 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:1972:13: 1972 | . -e6,-e8,edisp | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:1849:24: 1849 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:395:19: 395 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:17: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:398:19: 398 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:19: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' nwpwxc_vdw3d.F:5:30: 5 | subroutine nwpwxc_copyc6(fname,maxc,max_elem,c6ab,maxci, | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' Making all in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' Compiling nwpw_library.F... Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' Making all in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Grassman.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_dmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_read.F... Compiling psi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rho_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_psi_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_psi_write.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_psi_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_history.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_write_filename.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_read_filename.F... Compiling polarizability.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling berry_phase_pol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_symmetrizer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here psi.F:3224:72: 3224 | Hmm = H1mm + H2mm + Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ note: 'eion' was declared here psi.F:2722:72: 2722 | Hmm = H1mm + H2mm + Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ note: 'eion' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' Compiling psi_H.F... Compiling psi_Hv4.F... Compiling electron.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' Compiling ke.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a ke.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... Compiling coulomb_screened.F... Compiling coulomb_screened_small.F... Compiling coulomb_filter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_mexc.F... Compiling v_bwexc.F... Compiling v_bwexc_euv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling nwpw_meta_gga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pbe96.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pbesol.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling revpbe.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling blyp.f... nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling b3lyp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:332:72: 332 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc.F:332:72: 332 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:36: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:36: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here Compiling bnl2007_x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hsepbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:398:72: 398 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc_euv.F:398:72: 398 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Compiling vdw-DF.F... Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_sic.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_shfx.F... Compiling pspw_hfx_localized.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Making all in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a ion_ion.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' Making all in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... Compiling psp_olddebug.F... Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psp_stress.F... Compiling semicore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psp_U.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psp_ld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... Compiling pspw_lmbfgs2.F... Compiling pspw_lmbfgs3.F... Compiling pspw_diis.F... Compiling pspw_rmmdiis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a aorbs.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a truncating_function.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... Compiling psp_formatter.F... Compiling psp_stress_formatter.F... Compiling pawppv1.F... Compiling hghppv1.F... Compiling HGH_nonlocal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling HGH_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Tesseral.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbppv3.F... Compiling kbppv3-stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling setup_kbpp.f... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling kbpp_ray.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_stress_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aorbs_formatter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbpp_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_pawppv1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_paw_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbppv3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling integrate_kbppv3d.f... kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_d_stress_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbppv3e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbppv3e.f... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e_new.f... kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:184:72: 184 | call Parallel_Brdcst_values(MASTER,msglen,dbl_mb(wp_indx)) | ^ Warning: 'wp_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:38: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'wp_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:184:72: 184 | call Parallel_Brdcst_values(MASTER,msglen,dbl_mb(wp_indx)) | ^ Warning: 'wp_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:38: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'wp_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_e_stress_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_e_stress_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... Compiling wvfnc_new.F... Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... Compiling wvfnc_reformat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wvfnc_ionize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wvfnc_adjust.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wvfnc_convert_restricted.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_wvfnc_init_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_wvfnc_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_wvfnc_new.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_wannier.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling silvestrelli_overlap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling silvestrelli_overlap_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling silvestrelli_minimize_old.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling pspw_wannier2.F... Compiling pspw_translate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling expand_cell.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wvfnc_expand_cell.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling band_reformat_c_wvfnc.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... Compiling cpmd_input.F... Compiling inner_loop_md.F... Compiling cpsdv5.F... Compiling cpmdv5.F... Compiling mm_loop.F... Compiling mmsdv1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_lmbda.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] Compiling psi_lmbda_sic.f... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling psi_lmbda_paw.f... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fei_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dipole_motion.F... cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_et.F... Compiling runsocket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling inner_loop.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... Compiling pspw_noit_energy.F... Compiling pspw_energy.F... Compiling pspw_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_bq_gradient.F... Compiling cgsdv5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pspw_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgmontecarlov1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgoptimize1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling cgmdv5.F... Compiling mmmdv1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgsd_noit_energy.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgsd_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgsd_excited.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cgsd_oep_eigenvalues.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgminimize2.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgminimizeABC.F... Compiling bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bfgsminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bybminimize0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bybminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bybminimize2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sdminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling md_energy.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kp_structure.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling pspw_director.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here cgmontecarlov1.F:832:72: 832 | > dbl_mb(ion_rion_ptr())) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... Compiling analysis.F... Compiling orb_pop.F... Compiling orb_pop_kawai.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling orb_pop_aorb.F... Compiling orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_APC.F... Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_APC.F:358:72: 358 | > dbl_mb(b(1)+ngs+(i-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here pspw_APC.F:361:72: 361 | > dbl_mb(b(1)+2*ngs+(i-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:364:72: 364 | > dbl_mb(b(1)+3*ngs+(i-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... Compiling cell_optimize.F... Compiling update_unitcell.F... Compiling pspw_stress_numerical.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_force_numerical.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling force_fd.F... Compiling stress_fd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Making all in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... Compiling pspw_2qmmm.F... Compiling pspw_qmmm.F... Compiling pspw_springs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_LJ.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_LJ.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_Q.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_Pair.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a mmq.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Making all in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' Compiling pspw_charge.F... Compiling pspw_efield.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... Compiling pspw_dplot.F... Compiling pspw_dplot_iteration.F... Compiling ELF.F... Compiling Ursenbach_smoother.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' Making all in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_generate_vlmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_generate_vnlmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_generate_vhxcmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling lcao_init_dn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_new_dn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcaov1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a task_pspw.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Making all in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' Making all in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_ma.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' Making all in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' Compiling integrate.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling paw_utils.F... Compiling io_utils.F... Compiling chkerr.F... Compiling double_factorial.f... Compiling bessel_transform.F... Compiling paw_gauss_weights.F... Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' Making all in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' Compiling paw_basis.F... Compiling paw_small_basis.F... Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' Making all in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' Compiling paw_proj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_proj.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' Making all in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_comp_charge.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_gaunt.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' Making all in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... Compiling paw_pot_hartree.F... Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Compiling paw_mult.F... Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_nonlocal.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' Compiling paw_density.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_density.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' Making all in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' Compiling paw_xc.F... Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' Making all in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' Compiling paw_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_force.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' Compiling paw_psi.F... Compiling paw_psi2.F... Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... Compiling paw_geodesic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' Compiling paw_sd.F... Compiling paw_cpmd.F... Compiling paw_inner_loop.F... Compiling paw_inner_loop_md.F... Compiling psi_marat_write.F... Compiling paw_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling paw_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling paw_nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling paw_sdminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling paw_cgsd_noit_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... Compiling paw_cell_optimize.F... Compiling paw_update_unitcell.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a task_paw.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpaw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Making all in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Compiling band_input.F... Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling task_band.F... Compiling band_energy.F... Compiling band_gradient.F... Compiling band_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Compiling band_minimizer.F... Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_cgminimize2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_cgminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_bfgsminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling c_bybminimize0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_bybminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_bybminimize2.F... Compiling c_sdminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' Making all in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' Compiling band_structure.F... Compiling band_interpolate_structure.F... Compiling band_kp_structure.F... Compiling band_fft_structure.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ Warning: 'kold[2]' is used uninitialized [-Wuninitialized] band_structure.F:60:37: Warning: 'kold[1]' is used uninitialized [-Wuninitialized] band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Compiling band_sd.F... Compiling band_inner_loop.F... Compiling band_cpmd.F... Compiling band_inner_loop_md.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_cpmd.F:1147:72: 1147 | > smearfermi(2),smearfermi(2)*EV | ^ Warning: 'smearfermi' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:69:26: 69 | real*8 smearfermi(2),smearcorrection,smearkT | ^ note: 'smearfermi' declared here band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... Compiling band_update_unitcell.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbpp_band_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling setup_kbpp_band.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbpp_band_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_local_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_nonlocal_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_stress_local_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_stress_nonlocal_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling HGH_band_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling HGH_band_nonlocal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Tesseral_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Spherical_band.F... Compiling hghpp_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rkbpp_band.F... Compiling kbpp_e_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_nonlocal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling integrate_kbpp_e_band_nonlocal_new.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling integrate_kbpp_e_band_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_local_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_ray.F... rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbpp_e_band_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_ray.F... kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... Compiling c_wvfnc_expander.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_wvfnc_adjust.F... Compiling c_v_wvfnc_new.F... Compiling pspw_reformat_c_wvfnc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' Making all in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... Compiling cpsp_projector.F... Compiling cpsp_stress.F... Compiling c_semicore.F... Compiling c_semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:934:72: 934 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:42: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1304:72: 1304 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1013:42: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:1013:31: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' Compiling cke.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a cke.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' Compiling c_electron.F... Compiling cpsi_H.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... Compiling c_geodesic2.F... Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... Compiling cpsi_KS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling BGrsm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_check.F... Compiling cpsi_spin2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpsi_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cpsi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling crho_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling crho_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_cpsi_new.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_cpsi_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling v_cpsi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpsi_printeigall.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' Compiling band_hfx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_hfx.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' Making all in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' Compiling borbs.F... Compiling borb_projector.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a borbs.o borb_projector.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' Compiling band_dplot_input.F... Compiling band_dplot.F... Compiling band_dplot_iteration.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' Compiling band_analysis.F... Compiling orb_pop_borb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling band_APC.F... Compiling band_atom_Efield.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libband.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Making all in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... Compiling task_ofpw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' Compiling ofpw_minimizer.F... Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_cgsd_energy.F:156:34: 156 | if ((deltae.lt.tole).and. | ^ Warning: 'deltac' may be used uninitialized [-Wmaybe-uninitialized] ofpw_cgsd_energy.F:29:37: 29 | real*8 tole,tolc,deltae,deltac,deltae_old | ^ note: 'deltac' declared here ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... Compiling chi_lmbda.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' Making all in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... Compiling chi_write.F... Compiling chi_new.F... Compiling chi_expander.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a v_thomasfermi.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' Making all in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a wgc.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpw.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpw.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpw.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' Making libraries in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' Making all in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' Making all in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dcftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scfti1.F... Compiling dcfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... Compiling spssb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dpssb3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling spssb3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb4.F... Compiling spssb4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssb5.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf.F... Compiling spssf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf4.F... Compiling spssf4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf5.F... Compiling spssf5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfftb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling srfftb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfftf.F... Compiling srfftf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drffti.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling srffti.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling srftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling srfti1.F... Compiling dradb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sradb2.F... Compiling dradb3.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradb4.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradbg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sradbg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradf4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradf5.F... Compiling sradf5.F... Compiling dradfg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradfg.F... dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' Making all in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling prlst2.F... Compiling mapchk.F... Compiling xstop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pairup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gexit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling igdiff.F... Compiling lstcnt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lstind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prfft3.F... Compiling prfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prffti.F... Compiling chk3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mfftc1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mfftr1.F... Compiling mcfftr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mrfftr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft1i.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft1.F... Compiling wrkspc2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' Making all in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' Compiling nwfft3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a nwfft3d.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpfft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' Making libraries in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' Compiling python_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_python.c... Compiling nwchem_wrap.c... Compiling nw_inp_from_string.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpython.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpython.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpython.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwpython.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' Making libraries in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_diel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_esppt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_groups.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_hbond.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_index.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_inirms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ana_initx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_pltgrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rama.F... Compiling ana_rdhdr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rdf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rdfram.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rdref.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rdtop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_report.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rmsdev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rtdbin.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_select.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ana_sizref.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_tag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_torsion.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_wtfram.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_wthdr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_wrtpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_wrtxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_xaver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_covar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling analyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libanalyze.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libanalyze.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libanalyze.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libanalyze.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' Making libraries in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' Compiling nwmd.F... Compiling md_start.F... Compiling md_input.F... Compiling md_main.F... Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwmd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwmd.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwmd.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' Making libraries in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cf_hopping.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_induce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_pbc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_rdgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cf_shake.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_rdtop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_uhop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pme_init.F... Compiling pme_fft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pme_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2134:72: 2134 | rlam(2)=one-rlam(2) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.7884] *)_2233][_32]' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcafe.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcafe.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcafe.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libcafe.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' Making libraries in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' Compiling sp_init.F... Compiling sp_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:4070:54: 4057 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4070 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4092:28: 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4092 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4119:56: 4107 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4119 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3037:28: 3037 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2610:72: 2610 | lbbl(ibbl,10)=ipl(indx,5) | ^ Warning: 'indx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:22: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'indx' was declared here sp_main.F:2680:72: 2680 | lbbl(ibbl,14)=jpl(jndx,5) | ^ Warning: 'jndx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:27: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'jndx' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libspace.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libspace.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libspace.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libspace.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' Making libraries in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Compiling atsym.F... Compiling drdy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drdy_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Input_for_drdy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drdy_synch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rpath.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rphwrt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rgsad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tranf.F... Compiling drdy_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rotx.F... Compiling moiten.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pot2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling restor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drdy_nwc_get.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling react2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling saddle.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling setpth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diagf.F... Compiling pmlqsp.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mxlneq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] setpth.F:33:10: 33 | if (u0(ilrg,1)*dir .lt. 0.0d00) then | ^ Warning: 'ilrg' may be used uninitialized [-Wmaybe-uninitialized] setpth.F:12:25: 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pmclqa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling path.F... Compiling path2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pot1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling euler.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pmlqa.F... Compiling dsdt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rsp.F... Compiling pmcube.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fdiag.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) | ^ Warning: 'slast' may be used uninitialized [-Wmaybe-uninitialized] pmlqa.F:25:49: 25 | Double Precision arg,delt,ft,ftlast,s,slast,sum,t,ts,xnorm | ^ note: 'slast' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling potsp.F... Compiling projct.F... Compiling pythag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getstr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling io.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rsp.F:311:16: 311 | IF (E2(M) .LE. C) GO TO 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] rsp.F:308:10: 308 | C = B * B | ^ note: 'c' was declared here Compiling sumout.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wfiles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwc_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Making libraries in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' Compiling vscf_input.F... Compiling vscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). vscf.F:1742:72: 1742 | emp1=v(istate) | ^ Warning: 'istate' may be used uninitialized [-Wmaybe-uninitialized] vscf.F:1707:32: 1707 | if (isum.eq.NM) istate=j | ^ note: 'istate' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvscf.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvscf.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libvscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' Making libraries in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... Compiling qmmm_lbfgsb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_qmmm_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_check_forces.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_bq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_esp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_cons.F... Compiling qmmm_geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_bq_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling task_qmmm_optimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_qmmm_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_output.F... Compiling mm_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_dynamics.F:152:21: 152 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_cons.F:385:72: 385 | log_mb(i_maps+i-1) = flag | ^ Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:338:18: 338 | logical flag | ^ note: 'flag' was declared here qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_input.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmmm_pes.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_qmmm_energy.F:1671:72: 1671 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1524:6: 1524 | function task_qmmm_energy_pes(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_property.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_qmmm_fep.F... qmmm_esp.F:316:19: 316 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:272:19: 272 | logical ofile | ^ note: 'ofile' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_pes.F:24:21: 24 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] Compiling task_qmmm_abc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_qmmm_energy.F:1420:72: 1420 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1273:6: 1273 | function task_qmmm_energy_pes0(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here qmmm_esp.F:436:19: 436 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:388:19: 388 | logical ofile | ^ note: 'ofile' was declared here task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:654:21: 654 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:422:72: 422 | return | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:365:21: 365 | logical status | ^ note: 'status' was declared here task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_abc.F:457:21: 457 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:272:21: 272 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:22:21: 22 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_interface.F:1685:11: 1685 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1669:17: 1669 | integer i,j | ^ note: 'j' was declared here mm_interface.F:1726:11: 1726 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1710:17: 1710 | integer i,j | ^ note: 'j' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmmm.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmmm.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' Making libraries in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' Compiling qmd_init.F... Compiling qmd_driver.F... Compiling qmd_main.F... Compiling qmd_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_start.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_nucl_dt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_kinetic.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_write_trj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_write_rst.F... Compiling qmd_ran1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_gasdev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_randomize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_nucl_pos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_nucl_vel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_fix_momentum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_freeze_inactive.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_cavity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_move_civecs.F... Compiling qmd_coup.F... Compiling qmd_elec_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_tdks_enmo.F... Compiling qmd_tddft_enmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_namd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_namd_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_set_den.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_coords_vels.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_civecs_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmd.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmd.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libqmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' Making libraries in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' Compiling et_calc.F... Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling et_vectors_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling et_fock.F... Compiling et_omega2_mult.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling et_dens_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libetrans.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libetrans.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libetrans.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libetrans.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' Making libraries in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Compiling tce_input.F... Compiling tce_init.F... Compiling tce_energy.F... Making all in include Compiling tce_energy_fragment.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:1195:10: 1195 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init.F:48:18: 48 | logical rohf | ^ note: 'rohf' was declared here tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' Compiling tce_tile.F... Compiling tce_ao1e.F... Compiling tce_mo1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e.F... Compiling tce_filename.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling createfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling deletefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling reconcilefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dratoga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gatodra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gatoeaf.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling get_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling add_block.F... Compiling tce_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_block.F:21:17: 21 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling sf_test.F... Compiling hbar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] add_block.F:29:17: 29 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_guess_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_guess_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_zero.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_print_x1.F... Compiling tce_print_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_residual_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_residual_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_pack.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sf_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_print_compact.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_scale.F... Compiling copyfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ddotfile.F... Compiling daxfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling daxpyfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dscalfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_aod1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_nud1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mod1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mod1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_abelian_axis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mod1_new.F... Compiling tce_mod1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_ydiagon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x3_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x4_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y3_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y4_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mbpt2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_restricted.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_hash.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_hash_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_hash_block.F... Compiling add_hash_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_cholesky_2d.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_cholesky_4d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling e2_offset_2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_block_ind.F... Compiling get_block_ind_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_offset_size.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling atpart_nalength.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_2s_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_restart_triples.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_restart_quadruples.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_dens_pp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_ph_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_mo_rdm_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_mo_rdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_mo_rdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_mo_rdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_rdm_write.F... Compiling tce_prop_start.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_diagnose_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fourindex_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fock_create.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_multipole_create.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_reference_check.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fourindex_cleanup.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' Making all in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fock_destroy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_multipole_destroy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_create_x4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_y3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_y4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_x4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_clone_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_y3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_y4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t2_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x2_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y2_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y3_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_y4_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdt_driver.F... Compiling tce_ccsd_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_lambda_perturbative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_lambda_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdt_lambda_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdtq_lambda_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_response_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdt_response_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdtq_response_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: 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Compiling tce_ccsdtq_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_lambda_response_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_asym_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_hyperpolar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... Compiling tce_init_new.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_disk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mo2e_disk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_disk_2eorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mo2e_incore_2eorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_incore_2eorb_split.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_hybrid_2eorb_split.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_offset_intorb_hybrid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mo2e_2emet3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_2emet3_n5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_2emet4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_2emet4_n5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling get_hash_block_ma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_energy_loc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cc2_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lambda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lr_alpha.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_qr_beta.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dgeev.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Compiling tce_schmidt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tensor_read_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t2a_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling new4ind_N5_osu.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_yguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_l1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_l2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_l3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_l4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_t3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_x3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling t2_2_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Making all in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_jacobi_lr3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_lr4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Making all in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' Compiling tce_gradient.F... Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_1pdm_ph_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_hhhh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_hhhp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_hhpp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_hphh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_2pdm_hphp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_pphp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_2pdm_pppp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_c_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_c_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_f_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_f_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_d_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_c_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_c_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_zvec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_c_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_c_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_d_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_d_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_grad_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_ccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hhhh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hphp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hppp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_pphh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_dens_pphp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_2pdm_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_hhpp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_hphh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_1pdm_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling put_1pwdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_tiles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_grad_force.F... Compiling tce_grad1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_grad2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_2pdm_ao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling btrans2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1pdm_pp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eomccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hhhh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hhhp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hhpp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hphh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hphp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_hppp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_pphh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_pphp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_pppp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_z1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_z2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_2pdm_pphh_zvec_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1pdm_hp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1pdm_ph_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_x1_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_x2_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_xdiagon_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' Making all in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_1prdm_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_1prdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsd_1prdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling icsd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling icsd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_kernels.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t2_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_1b_dens_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' Making all in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' Making all in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_denominator.F... Compiling eomccsd_density1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1prdm_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1prdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1prdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_x1_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_x2_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomicsd_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomicsd_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' Making all in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' cr_ccsd_t.F:79:72: 79 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:33:21: 33 | integer k_right,l_right | ^ note: 'k_right' declared here cr_ccsd_t.F:82:72: 82 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:32:19: 32 | integer k_den,l_den | ^ note: 'k_den' declared here Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_singles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lambda_ccsd_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lambda_ccsd_t_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_doubles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsd_t_singles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_t_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_q_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_q_right.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling ccsdt2_q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_right.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_ccsd_t_D.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_ccsd_t_E.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_ccsd_t_N.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lr_ccsd_tq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_qcisd_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling m2_dot_m1t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_t_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_dts_kernels_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offl_ccsd_t_doubles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_kernels_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_hashnsort.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_dot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_t_neword.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Making all in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_gr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling t2t12.F... Compiling nr0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c1excit2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c2excit2.F... Compiling q3rexpt2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling cr_eomccsd_t_n2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling offset_cr_eomccsd_t_n2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling q3rexpt2_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling creomccsd_t_n2_mem_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_6dts.F... Compiling cr_ccsd_t_N_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_ccsd_t_E_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Making all in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Compiling tce_loc_j1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_loc_j2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Making all in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling emb1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling emb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Making all in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' Making all in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' Making all in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' Compiling lccsd_t1.F... Compiling lccsd_e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lccsd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' Making all in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Compiling qcisd_e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qcisd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qcisd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Making all in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Compiling cc3_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt1b_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt1_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cc3_lambda3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Making all in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' Making all in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling mbpt2_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mbpt2_t1_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mbpt2_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Making all in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mbpt3_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling mbpt3_t1_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mbpt3_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Making all in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' Compiling mbpt4_e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a mbpt4_e.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' Making all in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cis_xdiagon.F... Compiling cis_xtidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cis_xguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Making all in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' Making all in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' Making all in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cisdtq_c4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' Making all in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling activity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' Making all in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling creomccsd_t_n2_act_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_tasim.F... Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' Making all in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling new_sort2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling new_sort4.F... Compiling new_sort6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_sort8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_sortacc8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_sort1.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Making all in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hphp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' Making all in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Compiling ucc4_e_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ucc4_t1_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ucc4_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ucc4_t2_t2_v_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ucc4_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Making all in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_print_eax1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_print_eax2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_eaxguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Making all in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_ipx1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ipx2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_ipx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Making all in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_t1a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t2a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_o.F... Compiling acolo_o_1p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling acolo_o_2p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_1p_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_1h.F... Compiling acolo_1p_1h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_2p_1h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_1p.F... Compiling acolo_1a_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Making all in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_6_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_12_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_12_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_14_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_9_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_10_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_11_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_13_2.F... Compiling ccsdt_lambda1_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_2.F... Compiling ccsdt_lambda1_14_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_3_2.F... Compiling ccsdt_lambda1_14_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_4_1.F... Compiling ccsdt_lambda1_14_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_5_1.F... Compiling OFFSET_ccsdt_lambda1_14_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_6_1.F... Compiling OFFSET_ccsdt_lambda1_14_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_9_1.F... Compiling ccsdt_lambda1_14_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15.F... Compiling ccsdt_lambda1_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_3_1.F... Compiling OFFSET_ccsdt_lambda1_15_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_4_1.F... Compiling OFFSET_ccsdt_lambda1_15_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16.F... Compiling ccsdt_lambda1_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_3_1.F... Compiling OFFSET_ccsdt_lambda1_16_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_16_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_17.F... Compiling ccsdt_lambda1_17_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_17_1.F... Compiling ccsdt_lambda1_18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_1.F... Compiling ccsdt_lambda1_18_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1_2.F... Compiling ccsdt_lambda1_18_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_3_1.F... Compiling ccsdt_lambda1_18_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_5_1.F... Compiling OFFSET_ccsdt_lambda1_18_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_6_1_1.F... Compiling OFFSET_ccsdt_lambda1_18_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_19.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_19_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_19_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_20.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_20_1.F... Compiling OFFSET_ccsdt_lambda1_20_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_20_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_20_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21.F... Compiling ccsdt_lambda1_21_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_21_1.F... Compiling ccsdt_lambda1_21_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_21_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_21_1_1_1.F... Compiling ccsdt_lambda1_21_1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21_2_1.F... Compiling OFFSET_ccsdt_lambda1_21_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_21_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2.F... Compiling ccsdt_lambda2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_3.F... Compiling ccsdt_lambda2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_5_2.F... Compiling ccsdt_lambda2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_5_2_1.F... Compiling ccsdt_lambda2_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_5_3.F... Compiling ccsdt_lambda2_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6_2.F... Compiling ccsdt_lambda2_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_6_4_1.F... Compiling ccsdt_lambda2_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_7_1.F... Compiling ccsdt_lambda2_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_7_2_1.F... Compiling OFFSET_ccsdt_lambda2_7_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_7_2_2.F... Compiling ccsdt_lambda2_7_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_8_1.F... Compiling OFFSET_ccsdt_lambda2_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_9.F... Compiling ccsdt_lambda2_10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2_2.F... Compiling ccsdt_lambda2_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2_2_2.F... Compiling ccsdt_lambda2_10_2_3.F... Compiling ccsdt_lambda2_10_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_3_1.F... Compiling OFFSET_ccsdt_lambda2_10_3_1.F... Compiling ccsdt_lambda2_10_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_10_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_2_1.F... Compiling ccsdt_lambda2_11_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_2_2_1.F... Compiling ccsdt_lambda2_11_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2_3.F... Compiling ccsdt_lambda2_11_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_3_2.F... Compiling ccsdt_lambda2_11_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_4_1.F... Compiling OFFSET_ccsdt_lambda2_11_4_1.F... Compiling ccsdt_lambda2_11_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12.F... Compiling ccsdt_lambda2_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_3.F... Compiling ccsdt_lambda2_12_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_12_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_4.F... Compiling ccsdt_lambda2_12_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_12_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_12_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_13_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_14_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_15_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_16.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_16_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_17.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_17_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_17_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_18_1.F... Compiling OFFSET_ccsdt_lambda2_18_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_18_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_1.F... Compiling OFFSET_ccsdt_lambda2_19_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_19_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_4_1.F... Compiling OFFSET_ccsdt_lambda2_19_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_20.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_20_1.F... Compiling OFFSET_ccsdt_lambda2_20_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_21.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_21_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_21_1.F... Compiling ccsdt_lambda2_22.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_22_1.F... Compiling OFFSET_ccsdt_lambda2_22_1.F... Compiling ccsdt_lambda2_23.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_23_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_23_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_23_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_23_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_23_2_1.F... Compiling ccsdt_lambda2_23_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_23_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_23_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_23_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_24.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_24_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_24_1.F... Compiling ccsdt_lambda2_24_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_24_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_25.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_25_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_25_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_25_1_1.F... Compiling OFFSET_ccsdt_lambda2_25_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_26.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_26_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_26_1.F... Compiling ccsdt_lambda2_26_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_26_1_1.F... Compiling ccsdt_lambda2_26_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_26_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_26_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_26_2_1_1.F... Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Making all in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_denominator.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x1a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsdt_x2a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsdt_density1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_13_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_9_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all17.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all17.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all20.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all21.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all24.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all25.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_eomccsdt_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_eomccsdt_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_eomccsdt_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' Making all in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_1_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_1_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_3.F... Compiling alpha_2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_2_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_14_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_2_5_14_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_9.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dip_r_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dip_r_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dip_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_1_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_11_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_13_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_14_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_14_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_4_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_dip_r_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' Making all in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling beta_3_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling beta_4_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling beta_all_offsets.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' Making all in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_yr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_yr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lr_d1_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lr_d1_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Making all in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Compiling ccsd_o1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_o2.F... Compiling eomccsd_o1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsd_o2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_o1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdtq_o4.F... Compiling ccsdtq_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' Compiling tce_mrcc_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' tce_mrcc_input.F:127:55: 87 | if (.not.rtdb_put(rtdb,'mrcc:usescffermiv',mt_log,1,.true.)) | 2 ...... 127 | if (.not.rtdb_put(rtdb,'mrcc:subsize',mt_int,1,isubsize)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_sortint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_tile.F... Compiling tce_mrcc_macpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_fillindexarray.F... Compiling tce_mrcc_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling create_mr_evl_sorted.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pgcreatefile.F... Compiling tce_mrcc_mo2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_ao2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_subnxtask.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_subnxtask.F:85:72: 85 | end | ^ Warning: '__result_nxtasksub' may be used uninitialized [-Wmaybe-uninitialized] tce_subnxtask.F:1:32: 1 | integer function nxtasksub(nproc,ichunk,p_handle) | ^ note: '__result_nxtasksub' was declared here Compiling tce_mrcc_sublock.c... tce_mrcc_tile.F:180:50: 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 180 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling eaf_mrcc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) | 2 ...... 207 | if (.not.rtdb_get(rtdb,'mrcc:icheckpoint',mt_int,1,icheckpoint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_mrcc_energy.F:2160:54: 365 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 2160 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,epsilon+enrep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mrcc_energy.F:3172:72: 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling tce_mrcc_refs_sym.F... Compiling tce_mrcc_force_orben.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_heff.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_jacobi_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_jacobi_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_gacp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_daxfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis_tidy.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) | 2 ...... 1274 | if (.not.rtdb_get(rtdb,'mrcc:rootmuc'//ds,mt_dbl,1,dvalue)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_heff.F:1454:46: 1224 | call ga_brdcst(Msg_Vec_EVal+21,dbl_mb(k_sqc), | 2 ...... 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_mrcc_tile.F:671:72: 671 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_tile.F:45:23: 45 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_sub_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_sub_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_c1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_c1_offset.F... Compiling tce_mrcc_c2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_c2_offset.F... Compiling tce_mrcc_mul_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_mul_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis_save.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_create_cas1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling atpart_nalength_mrcc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling new_ga4ind_N5uhf_mrcc_lm2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mrcc_create_cas1.F:109:14: 109 | if(k.le.(id+ia)) iacounts(k) = 1 | ^ Warning: 'ia' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:21: 24 | integer id,ia,ib | ^ note: 'ia' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:24: 24 | integer id,ia,ib | ^ note: 'ib' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:18: 24 | integer id,ia,ib | ^ note: 'id' was declared here tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN | ^ Warning: 'count' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_heff.F:1506:21: 1506 | INTEGER count | ^ note: 'count' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' Making all in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Compiling mr_ccsd_e.F... Compiling mr_ccsd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mr_ccsd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mr_ccsd_dcl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling T2_C2_1.F... Compiling T2_C2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling T2_pg_C2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling T2_pg_C2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Making all in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' Compiling ccsd_st1.F... Compiling ccsd_st2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_se.F... Compiling ccsd_dcl_sub.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' Making all in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... Compiling tce_mrcc_ccsdpt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_ccsdpt_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_q3vnt1_subg.F... Compiling tce_mrcc_q3fnt2_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' Making all in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' Compiling tce_uss_offdiagonal_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_uss_offdiagonal_2.F... Compiling tce_uss_offdiagonal_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_uss_offdiagonal_4.F... Compiling ccsd_r3.F... Compiling ccsd_r4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_uss_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_uss_T1_R1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_uss_offdiagonal_4.F:80:72: 80 | &b,t_h2b,t_h3b,t_h4b,t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_r4a' is used uninitialized [-Wuninitialized] tce_uss_offdiagonal_4.F:33:25: 33 | integer l_r4a,k_r4a | ^ note: 'k_r4a' declared here Compiling tce_uss_T2_R2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_uss_offdiagonal_1.F:376:11: 376 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_1.F:38:35: 38 | integer sizenew,ihashold,ioff,sizenew1,ioff1,ioff2 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_2.F:417:11: 417 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_2.F:42:35: 42 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_3.F:462:11: 462 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_3.F:57:35: 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_4.F:465:11: 465 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_4.F:49:35: 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Making libraries in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Compiling mm_input.F... Compiling mm_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_coords.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_link.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_vdw_coords.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_bq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_neb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_cons.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:16: 1454 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:20: 1454 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1511:72: 1511 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:24: 1454 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1514:72: 1514 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:28: 1454 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:16: 1140 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:20: 1140 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1173:72: 1173 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:24: 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:16: 1597 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:20: 1597 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1654:72: 1654 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:24: 1597 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1657:72: 1657 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:28: 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:16: 1226 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:20: 1226 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1261:72: 1261 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:24: 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here mm_link.F:365:72: 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:17: 297 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:368:72: 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:22: 297 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:487:72: 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:17: 420 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:490:72: 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:22: 420 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:28: 812 | double precision rq,rl,rh | ^ note: 'rl' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:25: 812 | double precision rq,rl,rh | ^ note: 'rq' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libperfm.a'. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Making libraries in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' Compiling dntmc_input.F... Compiling dntmc_setgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling gibbs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.5834] *)_566][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6517] *)_543][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7263] *)_487][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdntmc.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdntmc.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdntmc.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdntmc.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' Making libraries in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' Compiling dc_initialize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dc_setgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dc_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdangchang.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdangchang.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdangchang.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdangchang.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' Making libraries in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' Compiling task_ccca.F... Compiling ccca_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccca.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccca.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccca.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libccca.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' Making libraries in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' Compiling dimqm_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dimpar_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_prep.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_main.F... Compiling dimqm_polarizability.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_f2d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dimqm_iterative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmr_real.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling matvecComplex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_EqmE.F... Compiling qmr_complex.F... Compiling matvecReal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling pphilo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_fldpot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_EqmN.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_printAtomicDipoles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_indDipoles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_printAtoms.F... Compiling dimqm_addop.F... Compiling dimqm_lclfld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling seeded_qmr_real.F... Compiling seeded_qmr_real_augment.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmr_seed_real.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmr_seed_complex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling seeded_qmr_complex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dimqm_broadcast.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dim_fock_xc.F... Compiling CubicSpline.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dim_getv.F... Compiling dim_tabcd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:31: 78 | double precision time1_xc,time2_xc | ^ note: 'time1_xc' was declared here dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:40: 78 | double precision time1_xc,time2_xc | ^ note: 'time2_xc' was declared here Compiling dim_eval_fnl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dim_grid_quadv0.F... Compiling dim_grid_quadv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_rohf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_util.F... Compiling dimqm_addop_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdimqm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdimqm.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdimqm.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdimqm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' Making libraries in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' Compiling fcidump_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_fcidump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fcidump_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libfcidump.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libfcidump.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libfcidump.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libfcidump.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' Making libraries in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Compiling gwmol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_chol_inv_seq.F... Compiling gw_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling gw_defaults.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_init.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_finalize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_vxc.F... Compiling gw_donewton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_cdgw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_cdgw_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_newton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_graph.F:326:72: 326 | $ resmat(1:npoints,iqp) ),dim=1)) | ^ Warning: 'npoints' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:33:61: 33 | integer llqp, ulqp, ipoints, icluster, qplimit, npoints | ^ note: 'npoints' was declared here gw_cdgw_graph.F:328:72: 328 | $ resmat(1:npoints,iqp))),2*nspace) | ^ Warning: 'nspace' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:35:60: 35 | double precision timer, timer2, rms3(3), const, nspace | ^ note: 'nspace' was declared here Compiling gw_ri_init.F... Compiling gw_invdiag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_tools.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_wmn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_sigmac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_addrpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_scalxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_analytic_sigmac_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_minres.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_cdgw_buildrn_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gw_cdgw_buildrn_minres.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Making libraries in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ydot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygesv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygesvd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yspsvx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yposv.F... Compiling ysyev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysyevd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yger.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yrot.F... Compiling ylaset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yswap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygebak.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygebal.F... Compiling ynrm2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylacpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylascl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylange.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygehrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysterf.F... Compiling ylarnv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylagtf.F... Compiling ylagts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling yasum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ypotri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysygv.F... Compiling ypotrf.F... Compiling ygeev.F... Compiling ygeevx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygels.F... Compiling ygelss.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygtsv.F... Compiling ypftrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ypftri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ytfsm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygetrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygetri.F... Compiling ygetrs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ifily.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jscal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jgemm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jheev.F... Compiling jcopy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jdotc.F... Compiling ijamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jgesvd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jgeev.F... Compiling jgetrs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jgetrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jlacpy.F... Compiling ysfrk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysysv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysytrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysytrs.F... Compiling ysymm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysymv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysyr2k.F... Compiling ytrmm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ytrtri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jlacp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysyrk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jsyrk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling jsysv.F... Compiling jsytrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/lib64to32.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/lib64to32.a echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/lib64to32.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/lib64to32.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-openmpi'" -DNWCHEM_BRANCH="'7.2.3'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-openmpi'" -DNWCHEM_BRANCH="'7.2.3'" -c -o stubs.o stubs.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' gfortran -L/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu/openmpi/lib -o /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-openmpi -lscalapack-openmpi -llapack -lblas -larmci-openmpi -larmci-openmpi -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-openmpi -l64to32 "-llapack" -lblas -llapack -larmci-openmpi -lpthread -lnwcutil -L/usr/lib/python3.12/config-3.12-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.12 -ldl -lm -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lhwloc /bin/rm -f nwchem.o stubs.o make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Compiling util_module_avail.F... Compiling util_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchem_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_scalapack_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making all in md5 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[3]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a'. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a util_module_avail.o util_version.o util_nwchem_version.o util_scalapack_info.o echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-openmpi'" -DNWCHEM_BRANCH="'7.2.3'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-openmpi'" -DNWCHEM_BRANCH="'7.2.3'" -c -o stubs.o stubs.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' gfortran -L/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu/openmpi/lib -o /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-openmpi -lscalapack-openmpi -llapack -lblas -larmci-openmpi -larmci-openmpi -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-openmpi -l64to32 "-llapack" -lblas -llapack -larmci-openmpi -lpthread -lnwcutil -L/usr/lib/python3.12/config-3.12-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.12 -ldl -lm -L/usr/lib/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lhwloc make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 64_to_32 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ make SKIP_COMPILERS=1 QUICK_BUILD=1 -C $dir 32_to_64 || exit 1 ; \ done make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' Nothing to be done make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/inp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Making 32_to_64 in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making 32_to_64 in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' (cd ./src/c; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/c' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/c' (cd ./src/f77; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/f77' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/f77' (cd ./comm; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/comm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/comm' (cd ./ctof; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/ctof' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/ctof' (cd ./h; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/h' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/h' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Making 32_to_64 in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making 32_to_64 in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' Making 32_to_64 in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/source' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making 32_to_64 in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Making 32_to_64 in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Making 32_to_64 in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Making 32_to_64 in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Making 32_to_64 in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/deriv' Making 32_to_64 in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/texas' Making 32_to_64 in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Making 32_to_64 in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' Making 32_to_64 in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Making 32_to_64 in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Making 32_to_64 in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' Making 32_to_64 in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Making 32_to_64 in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Making 32_to_64 in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Making 32_to_64 in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Making 32_to_64 in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Making 32_to_64 in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Making 32_to_64 in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Making 32_to_64 in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Making 32_to_64 in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Making 32_to_64 in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Making 32_to_64 in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Making 32_to_64 in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/zora' Making 32_to_64 in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/spec' Making 32_to_64 in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Making 32_to_64 in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/matutils' Making 32_to_64 in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Making 32_to_64 in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/input' Making 32_to_64 in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/init' Making 32_to_64 in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/canorg' Making 32_to_64 in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/propagators' Making 32_to_64 in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Making 32_to_64 in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Making 32_to_64 in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Making 32_to_64 in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/x2c' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' Making 32_to_64 in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Making 32_to_64 in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Making 32_to_64 in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Making 32_to_64 in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' Making 32_to_64 in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/string' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Making 32_to_64 in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/esp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Making 32_to_64 in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Making 32_to_64 in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making 32_to_64 in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' Making 32_to_64 in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Parallel' Making 32_to_64 in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Making 32_to_64 in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Making 32_to_64 in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/Pneb' Making 32_to_64 in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/K1dB' Making 32_to_64 in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Making 32_to_64 in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Making 32_to_64 in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Making 32_to_64 in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/CMatrix' Making 32_to_64 in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TMatrix' Making 32_to_64 in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/control' Making 32_to_64 in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/lattice' Making 32_to_64 in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/io' Making 32_to_64 in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Making 32_to_64 in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion' Making 32_to_64 in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Making 32_to_64 in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Making 32_to_64 in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/unitcell' Making 32_to_64 in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/brillouin_zone' Making 32_to_64 in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Making 32_to_64 in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/linesearch' Making 32_to_64 in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/timing' Making 32_to_64 in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ewald' Making 32_to_64 in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/thermostats' Making 32_to_64 in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/MetaDynamics' Making 32_to_64 in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/TAMD' Making 32_to_64 in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/FMM' Making 32_to_64 in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh nwpwxc_vdw3a.F converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' Making 32_to_64 in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/libraryps' Making 32_to_64 in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Making 32_to_64 in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/sic' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Making 32_to_64 in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/ion' Making 32_to_64 in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/Grsm_list' Making 32_to_64 in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/aorbs' Making 32_to_64 in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/truncating_function' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/makepsi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cgsd' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Making 32_to_64 in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Making 32_to_64 in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making 32_to_64 in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Making 32_to_64 in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Pair' Making 32_to_64 in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' Making 32_to_64 in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/charge' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/dplot' Making 32_to_64 in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lcao' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw' Making 32_to_64 in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Making 32_to_64 in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_geometry' Making 32_to_64 in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ma' Making 32_to_64 in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_utils' Making 32_to_64 in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_basis' Making 32_to_64 in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_proj' Making 32_to_64 in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_matrix' Making 32_to_64 in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ovlp' Making 32_to_64 in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_charge' Making 32_to_64 in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_special_functions' Making 32_to_64 in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_gaunt' Making 32_to_64 in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_kinetic' Making 32_to_64 in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_vloc' Making 32_to_64 in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_ion_potential' Making 32_to_64 in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_core' Making 32_to_64 in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_hartree' Making 32_to_64 in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_comp_pot' Making 32_to_64 in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Making 32_to_64 in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_nonlocal' Making 32_to_64 in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_density' Making 32_to_64 in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_xc' Making 32_to_64 in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_force' Making 32_to_64 in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_Grsm_list' Making 32_to_64 in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_psi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cgsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/cell_optimize' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw' Making 32_to_64 in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' Making 32_to_64 in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/structure' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cell_optimize' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/makepsi' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' Making 32_to_64 in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/coulomb' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/electron' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/psi' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/hfx' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/Grsm_list' Making 32_to_64 in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/borbs' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/dplot' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/analysis' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Making 32_to_64 in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/cpsd' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' Making 32_to_64 in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/ke' Making 32_to_64 in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/WGC' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' Making 32_to_64 in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' Making 32_to_64 in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/fftpack' Making 32_to_64 in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0/pfft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfft1.0' Making 32_to_64 in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/python' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/analyz' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cafe' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/space' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmmm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/etrans' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' Making 32_to_64 in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Making 32_to_64 in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Making 32_to_64 in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/gradients' Making 32_to_64 in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd' Making 32_to_64 in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_lambda' Making 32_to_64 in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd' Making 32_to_64 in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Making 32_to_64 in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Making 32_to_64 in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Making 32_to_64 in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Making 32_to_64 in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccd' Making 32_to_64 in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccd' Making 32_to_64 in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' Making 32_to_64 in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Making 32_to_64 in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Making 32_to_64 in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt1' Making 32_to_64 in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Making 32_to_64 in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Making 32_to_64 in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt4' Making 32_to_64 in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Making 32_to_64 in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisd' Making 32_to_64 in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' Making 32_to_64 in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdtq' Making 32_to_64 in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_act' Making 32_to_64 in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsd_act' Making 32_to_64 in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr_eomccsd_t_act' Making 32_to_64 in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Making 32_to_64 in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' Making 32_to_64 in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Making 32_to_64 in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Making 32_to_64 in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Making 32_to_64 in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Making 32_to_64 in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Making 32_to_64 in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eomccsdt' Making 32_to_64 in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_alpha' Making 32_to_64 in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_beta' Making 32_to_64 in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Making 32_to_64 in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Making 32_to_64 in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' Making 32_to_64 in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' Making 32_to_64 in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK converting T2_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_C2.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Making 32_to_64 in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F to 32-bit integers for BLAS/LAPACK converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK converting ccsd_se.F to 32-bit integers for BLAS/LAPACK converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_sub' Making 32_to_64 in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd_t' Making 32_to_64 in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK converting ccsd_r3.F to 32-bit integers for BLAS/LAPACK converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T2_R2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_tile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK converting create_mr_evl_sorted.F to 32-bit integers for BLAS/LAPACK converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_mrcc_sublock.F.2893863 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_heff.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_gacp.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_new.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccca' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config/32_to_64 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/64to32blas' touch 32_to_64 make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' building nwchem against mpich using LIBMPI=-L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make -C config -f make_nwchem_config NWCHEM_MODULES=""pnnl"" make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F cp util_module_avail_F.begin ../util/util_module_avail.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F echo "# Request modules from user: pnnl" >> nwchem_config.h for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG echo "CONFIG_LIBS = " >> nwchem_config.h echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[2]: '64_to_32' is up to date. make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 Making libraries in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' test -d /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64 ./util/util_nwchem_version.bash for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/$dir ; \ (cd /build/reproducible-path/nwchem-7.2.3/build-mpich/src/$dir; make SKIP_COMPILERS=1 include_stamp) ; \ done Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' Nothing to be done make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' ( cd /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config; make /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x ; ) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' gcc -g -o /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/config' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p geom.fh geomP.fh periodic.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p inp.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/input make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p pstat.fh pstat_consts.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in hdbm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p hdbm.h /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/task make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in md5 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p checksum.h /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dist.fh yflop.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bq.fh bq_params.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in simint make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in module make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' Making include_stamp in source make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' Making include_stamp in api make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Making include_stamp in int make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p sh_order.fh case.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' Making include_stamp in auxil make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p spcartP.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Making include_stamp in ints_sp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Making include_stamp in deriv make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../int/sh_order.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' Making include_stamp in texas make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p screened_op.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Making include_stamp in ecp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ecp_nwc.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' Making include_stamp in hondo make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Making include_stamp in rel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Making include_stamp in dk make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in fast make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p moints_stats.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' Making include_stamp in input_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Making include_stamp in scf_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' Making include_stamp in coulomb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' Making include_stamp in xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' Making include_stamp in util make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' Making include_stamp in grid make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' Making include_stamp in dftgrad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Making include_stamp in spec make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' Making include_stamp in rt_tddft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in matutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p matutils.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' Making include_stamp in init make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Making include_stamp in libxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p libxc.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' Making include_stamp in x2c make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in deloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' Making include_stamp in mepgs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Making include_stamp in tropt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' Making include_stamp in neb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' Making include_stamp in string make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in analytic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in dft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' cp -p hess_info.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/property make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p prop.fh atomdata.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in Parallel make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p stupid_mpi4.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' Making include_stamp in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in shake make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_atom make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_utilities make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p frac_occ.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in FEFF6L make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' Making include_stamp in libraryps make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' Making include_stamp in pspw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in vdw-DF make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in pspw_LJ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Making include_stamp in charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' Making include_stamp in lcao make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Making include_stamp in paw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in paw_geometry make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_geom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_ma.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_basis.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_proj.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_comp_charge_matrix.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_comp_charge_data.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_gaunt.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_vloc_atom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_ion_atom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_core_atom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include/ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_energy_hartree_atom.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_mult_data.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_xc.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p paw_force_data.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Making include_stamp in band make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Making include_stamp in structure make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' Making include_stamp in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in cpsp make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' Making include_stamp in psi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Making include_stamp in hfx make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' Making include_stamp in dplot make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' Making include_stamp in analysis make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in APC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Making include_stamp in ofpw make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in minimizer make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in chi make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in fftpack make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' Making include_stamp in pfftwrap make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/python make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/include/python3.12 -I/usr/include/python3.12 -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p nwmd_constants.fh md_common.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/space make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../util/util_params.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I./include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' Making include_stamp in diis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Making include_stamp in diis2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' Making include_stamp in gradients make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' Making include_stamp in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' Making include_stamp in ccsd_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' Making include_stamp in eomccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' Making include_stamp in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' Making include_stamp in lrh make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' Making include_stamp in emb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' Making include_stamp in ccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' Making include_stamp in lccd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' Making include_stamp in lccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' Making include_stamp in qcisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' Making include_stamp in cc3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Making include_stamp in mbpt1 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' Making include_stamp in mbpt2 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' Making include_stamp in mbpt3 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' Making include_stamp in mbpt4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' Making include_stamp in cis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' Making include_stamp in cisd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' Making include_stamp in cisdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' Making include_stamp in cisdtq make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' Making include_stamp in ccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Making include_stamp in eomccsd_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' Making include_stamp in sort make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' Making include_stamp in ducc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' Making include_stamp in ucc4 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' Making include_stamp in eaccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' Making include_stamp in ipccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' Making include_stamp in ccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' Making include_stamp in ccsdt_lambda make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' Making include_stamp in ccsd_alpha make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' Making include_stamp in ccsd_yr make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' Making include_stamp in response make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' Making include_stamp in mrcc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../include -I./include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Making include_stamp in include make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Making include_stamp in ccsd make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Making include_stamp in ccsd_sub make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' Making include_stamp in ccsd_t make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' Making include_stamp in uss make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../../include -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' touch include_stamp make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p mm.fh mm_params.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: 'include_stamp' is up to date. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../basis -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p dimqm.fh dimqm_constants.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I./ -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /build/reproducible-path/nwchem-7.2.3/build-mpich/src/include touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' touch include_stamp make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' Making libraries in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' Compiling basis.F... Compiling bas_contrib.F... Compiling bas_input.F... Compiling bas_checksum.F... Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). basisP.F:427:72: 427 | end | ^ Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] basisP.F:380:37: 380 | integer function nbf_from_ucont(ucont,basisin) | ^ note: '__result_nbf_from_ucont' was declared here basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' Making libraries in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' Compiling geom.F... Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_numcore.F... Compiling geom_checksum.F... Compiling geom_1d.F... Compiling geom_2d.F... Compiling geom_print_ecce.F... geom_numcore.F:107:51: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 107 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:112:54: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 112 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_freeze.F... Compiling geom_fragment.F... Compiling geom_getsym.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' geom_getsym.F:87:16: 87 | if (ncenter_before_auto .gt. ncenter) call errquit | ^ Warning: 'ncenter_before_auto' may be used uninitialized [-Wmaybe-uninitialized] geom_getsym.F:27:33: 27 | integer ncenter_before_auto | ^ note: 'ncenter_before_auto' was declared here geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). geom.F:1106:11: 1102 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1106 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2407:30: 2407 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3367 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:4587:12: 4587 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' | ^ Warning: 'atomic' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4448:24: 4448 | LOGICAL ATOMIC | ^ note: 'atomic' was declared here geom_input.F:4588:12: 4588 | IF(LINEAR) WRITE(IW,*) 'THIS IS A LINEAR MOLECULE' | ^ Warning: 'linear' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4449:24: 4449 | LOGICAL LINEAR | ^ note: 'linear' was declared here geom_input.F:4483:25: 4483 | integer kaxis,jaxis,isteps,istep,iordr,iaxis | ^ Warning: 'jaxis' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:5156:72: 5156 | DZ=C2(K,IAT)-C2(K,JAT) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4482:19: 4482 | integer kat,k,JJC4,JJS4,jjc2,j,i | ^ note: 'k' was declared here geom_input.F:4125:72: 4125 | return | ^ Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:4058:41: 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) | ^ note: '__result_geom_lst_get_coord' was declared here Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). geom_input.F:2866:72: 2866 | gamma = sign(gamma,aijkl) | ^ Warning: 'aijkl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2751:39: 2751 | double precision rij, aijk, aijkl, angs_to_au, pi, deg_to_rad | ^ note: 'aijkl' was declared here geom_input.F:2902:72: 2902 | alpha = (cos(aijl) - d*cos(aijk)) / (1d0-d*d) | ^ Warning: 'aijl' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2753:54: 2753 | double precision dkj, dkl, djk, djl, dklkj, aijl, djkl | ^ note: 'aijl' was declared here geom_input.F:2750:44: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2906:16: 2906 | if (orient .lt. 0) gamma = -gamma | ^ Warning: 'orient' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:2750:62: 2750 | integer iadd, itype, izvar, i, j, k, l, ind, iat, orient | ^ note: 'orient' was declared here geom_input.F:6723:72: 6723 | BETA=PT5*ALPH | ^ Warning: 'alph' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6282:38: 6282 | double precision beta,alpha,alph | ^ note: 'alph' was declared here geom_input.F:6283:34: 6283 | integer n1,n2,n,itr,it,nn,ii | ^ Warning: 'ii' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:7081:10: 7081 | if (err .gt. err1) then | ^ Warning: 'err1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6955:27: 6955 | double precision err1, xmax, xmax1 | ^ note: 'err1' was declared here geom_input.F:7084:72: 7084 | call sym_geom_project(geom, max(0.1d0*xmax1,1d-6)) | ^ Warning: 'xmax1' may be used uninitialized [-Wmaybe-uninitialized] geom_input.F:6955:40: 6955 | double precision err1, xmax, xmax1 | ^ note: 'xmax1' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' Making libraries in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Compiling inp.F... Compiling inp_irange.F... Compiling inp_ilist.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' Compiling input_parse.F... Compiling memory_input.F... Compiling input_mem.F... Compiling input_set.F... Compiling input_title.F... Compiling get_inp_file.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling memory_def.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling speech_input.F... input_set.F:153:21: 153 | if (.not. status) call errquit | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] input_set.F:17:20: 17 | logical status ! accumulates return codes | ^ note: 'status' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' Making libraries in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Making all in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' Compiling rtdb_f2c.c... Compiling rtdb.c... Compiling rtdb_seq.c... Compiling context.c... Compiling context_f2c.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ rtdb.c: At top level: rtdb.c:179:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 179 | char* fname) | ~~~~~~^~~~~ In file included from rtdb.c:4: rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld rtdb_seq.c: At top level: rtdb_seq.c:1192:25: warning: argument 2 of type 'char *' declared as a pointer [-Warray-parameter=] 1192 | char* fname) | ~~~~~~^~~~~ In file included from rtdb_seq.c:42: rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' rtdb.c: In function 'rtdb_getfname': rtdb.c:219:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 219 | return status; | ^~~~~~ rtdb.c:181:7: note: 'status' declared here 181 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get': rtdb.c:376:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 376 | return status; | ^~~~~~ rtdb.c:337:7: note: 'status' declared here 337 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_get_info': rtdb.c:419:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 419 | return status; | ^~~~~~ rtdb.c:382:7: note: 'status' declared here 382 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_ma_get': rtdb.c:500:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 500 | return status; | ^~~~~~ rtdb.c:442:7: note: 'status' declared here 442 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_first': rtdb.c:543:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 543 | return status; | ^~~~~~ rtdb.c:505:7: note: 'status' declared here 505 | int status; | ^~~~~~ rtdb.c: In function 'rtdb_next': rtdb.c:587:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 587 | return status; | ^~~~~~ rtdb.c:548:7: note: 'status' declared here 548 | int status; | ^~~~~~ make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Compiling hdbm.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a hdbm.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Making libraries in task make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' Compiling task_energy.F... Compiling task_gradient.F... Compiling task_optimize.F... Compiling task_freq.F... Compiling task_hessian.F... Compiling task_dynamics.F... Compiling task_thermo.F... Compiling task_et.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_save_state.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task.F... task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_input.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_shell_input.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_num_grad.F... Compiling task_vscf.F... task_hessian.F:302:72: 302 | end | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_hessian.F:166:20: 166 | logical status, ignore, numerical, analytic | ^ note: 'status' was declared here task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... Compiling task_jefftce.F... Compiling task_ncc.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_rfcf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_gwmol.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:1586:72: 1586 | & j_mon_name(1:lenname) | ^ Warning: 'lenhess' may be used uninitialized [-Wmaybe-uninitialized] task_bsse.F:1419:21: 1419 | integer lenhess | ^ note: 'lenhess' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwctask.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' Making libraries in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling opprint.f... Compiling mprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_get_cart.F... sym_vec_sym.F:99:36: 99 | integer isphcart, i_nbf_per_sh | ^ Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] Compiling sym_grp_name.F... gensym.f:314:13: 314 | isym=nops*3 | ^ Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling sym_op_cname.F... Compiling cross_prod.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_bs_irrep.F:165:72: 165 | n = n + nbf_per_ir(ir) | ^ Warning: 'itrace' may be used uninitialized [-Wmaybe-uninitialized] sym_bs_irrep.F:25:35: 25 | integer class, op, ir, itrace, i | ^ note: 'itrace' was declared here Compiling sym_g_sym.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling wrcell.F... Compiling sym_abelian.F... Compiling sym_mol.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' Making libraries in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Compiling output.f... Compiling ffflush.F... Compiling errquit.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling line_search.F... Compiling ga_pcg_min.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_iter_diag.F:377:72: 377 | end | ^ Warning: 'converged' may be used uninitialized [-Wmaybe-uninitialized] ga_iter_diag.F:83:23: 83 | logical converged | ^ note: 'converged' was declared here Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_screen.F... Compiling ga_get_diag.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling two_ind_trn.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... Compiling util_print.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... cp util_v_stub.F util_version.F Compiling util_module_avail.F... Compiling util_nwchem_version.F... Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... Compiling util_cpusec.F... Compiling util_wallsec.F... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:62:23: 62 | Integer NBF, Type, G_Tmp, G_S | ^ note: 'type' was declared here mk_fit_xf.F:206:23: 206 | If (DoSplit .AND. Type .eq. 1) then | ^ Warning: 'dosplit' may be used uninitialized [-Wmaybe-uninitialized] mk_fit_xf.F:61:29: 61 | Logical Status, DoSplit | ^ note: 'dosplit' was declared here Compiling gather.f... Compiling scatter.f... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_io_unit.F... Compiling util_file_name.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... util_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) | ^ Warning: 'len_newchr' may be used uninitialized [-Wmaybe-uninitialized] util_legal.F:316:24: 316 | integer len_newchr | ^ note: 'len_newchr' was declared here Compiling util_file_unlink.c... Compiling util_file_copy.c... Compiling util_system.c... Compiling util_sleep.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ Compiling util_rtdb_state.F... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] 40 | void (*Siginit)(); | ^~~~~~~ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ Compiling util_random.F... Compiling ecce_print.c... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... Compiling nw_inp_from_file.F... Compiling bgj.F... Compiling movecs_ecce.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_density.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling moeig_read.F... Compiling util_debug.c... nw_inp_from_file.F:46:72: 46 | end | ^ Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] nw_inp_from_file.F:1:44: 1 | logical function nw_inp_from_character(rtdb, string) | ^ note: '__result_nw_inp_from_characte' was declared here bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling util_erf.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... Compiling ga_extra.F... Compiling util_test.F... Compiling util_ga_test.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util.c... Compiling util_patch_test.F... Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_test_eig.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... Compiling util_io.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_xyz.F... Compiling util_ma.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling ao_1prdm_write.F... Compiling util_poltensor.F... Compiling util_strips.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making all in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' Compiling util_version.F... Compiling util_scalapack_info.F... util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:20: 824 | integer idim,i,j,k,l,m | ^ note: 'i' was declared here util_md.F:852:72: 852 | b=a(i,k) | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] util_md.F:824:24: 824 | integer idim,i,j,k,l,m | ^ note: 'k' was declared here ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling md5wrap.c... Compiling md5.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a md5wrap.o md5.o Compiling ga_matpow.F... Compiling util_pack.F... Compiling dabssum.F... echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a Compiling dabsmax.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' Compiling dfill.F... Compiling ifill.f... Compiling zfill.f... Compiling mabyte_fill.F... Compiling ga_it_lsolve.F... Compiling idamin.f... Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling util_jacobi.F... Compiling stpr_sjacobi.F... Compiling util_rsg.f... Compiling util_memcpy.c... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... Compiling util_mirror.F... Compiling ga_copy_dz.F... Compiling dgami.f... Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here Compiling util_talker.c... nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling icopy.f... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here util_rsg.f:139:72: 139 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making libraries in peigs make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' (make lib ) || exit 1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' (cd ./src/c; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/c' Compiling clustrfix.c... Compiling mgscs.c... Compiling pscale.c... Compiling clustrxx5.c... Compiling clustrxx4.c... Compiling pstein4.c... Compiling pstein5.c... Compiling peigs_dlasq1.c... Compiling b_ortho.c... Compiling chol_bcst.c... Compiling choleski9.c... Compiling ci_entry.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^~~~ clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^~~~~ clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~^ ~~~~~~~~~~~~~~~~~~ | | | | int Integer {aka long int} | %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^~~~ b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 191 | *m, *n, me); | ~~ | | | Integer {aka long int} peigs_dlasq1.c: In function 'peigs_dlasq1': clustrfix.c: At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 34 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~^ ~~~ | | | | int Integer {aka long int} | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^~~~~ peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] 39 | fflush(file); | ^~~~~~~~~~~~ peigs_dlasq1.c:38:5: note: call to 'fclose' here 38 | fclose(file); | ^~~~~~~~~~~~ pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 233 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 301 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~ | | | Integer {aka long int} pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~ | | | Integer {aka long int} pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ | | | int | %ld 445 | me, isize, neigval ); | ~~~~~~~ | | | Integer {aka long int} chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^~~~~ mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 420 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 428 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 435 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld ci_entry.c:444:23: warning: the comparison will always evaluate as 'false' for the pointer operand in 'mapvec + (sizetype)((long unsigned int)k * 8)' must not be NULL [-Waddress] 444 | if ( mapvec + k == NULL ) { | ^~ ci_entry.c:446:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld ci_entry.c:447:30: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 447 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling de_sym.c... Compiling conjug22.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^~~~~~ Compiling exit2.c... Compiling exit.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ Compiling forLL.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling forLU.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling gmax.c... Compiling inverse.c... Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ Compiling mapdif1.c... Compiling matmax.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ Compiling mdif2b.c... Compiling mdiff1.c... Compiling memreq_f.c... Compiling memreq.c... Compiling mdiff2.c... Compiling mgs5.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~^ ~~ | | | | int Integer {aka long int} | %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^~~~~~~~~ Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~^ ~~~~~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 316 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 342 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspevx.c... ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 163 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling pdspgv_c.c... Compiling pdspgvx.c... Compiling pdsptri.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 456 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 483 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling peigs_cmod.f... pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ Compiling pipe_fut.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 320 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 353 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 387 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^~~~~ Compiling pmmLSL.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 351 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 414 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld Compiling pmmlsl2.c... Compiling pmmLUL.c... Compiling pxerbla.c... Compiling qsort.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx.c:422:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 423 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ | | | int | %ld 467 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~ | | | Integer {aka long int} pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ | | | int | %ld 513 | msg, me, -linfo); | ~~~~~~ | | | Integer {aka long int} pdspgvx.c:532:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:710:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^~~~~~ pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ Compiling resid.c... Compiling residual.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ Compiling sorteig.c... Compiling tred22.c... Compiling treesort3.c... Compiling tresid.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^~~~~~ Compiling util.c... Compiling xerbla.c... Compiling mapchk.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~^ ~~ | | | | int Integer {aka long int} | %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^~~~ treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ Compiling pdiff.c... Compiling pgexit.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ | | | int | %ld 47 | string, *info ); | ~~~~~ | | | Integer {aka long int} mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) | ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' 64 | iptr++; | ^~~~ Compiling reducemap.c... Compiling pstebz10.c... Compiling pstebz11.c... Compiling inv_it4.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~ | | | Integer {aka long int} pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~^ | | | int | %ld 132 | msg1, msg2, me, last_proc ); | ~~~~~~~~~ | | | Integer {aka long int} Compiling inv_it5.c... Compiling inv_it3.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ inv_it4.c: In function 'inv_it4': Compiling peigs_tldlfact.c... inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^~~~~~ inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ Compiling clustrf5.c... Compiling r_ritz.c... Compiling gdot.F... pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:226:6: note: 'nhigh' was declared here 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~~ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz11.c:227:14: note: 'nlow' was declared here 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^~~~ clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] 451 | sep = xj - xjm; | ~~~~^~~~~~~~~~ clustrf5.c:187:19: note: 'xjm' was declared here 187 | DoublePrecision xjm, eps1; | ^~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:223:5: note: 'nhigh' was declared here 223 | nhigh, numeig, isize, linfo, | ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/c' (cd ./src/f77; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' Compiling damax.f... Compiling inverm.F... Compiling dlaebz2.F... Compiling dstebz3.F... Compiling heapsort.f... Compiling neblw2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/comm' Compiling mxcombv1.F... Compiling mxbrod.F... Compiling mxsubs.F... Compiling sum.F... Compiling peigs_dgop.F... Compiling maxx.F... mxbrod.F:84:20: 84 | integer srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:342:72: 342 | prtnr = nodel(prtlpos+1) | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ note: 'prtlpos' was declared here mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/comm' (cd ./ctof; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/ctof' Compiling bortho_f.c... Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... Compiling pdspev_f.c... Compiling pdspevx_f.c... Compiling pdspgv_f.c... Compiling pdspgvx_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 121 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~^ | | | int | %ld 116 | *m, *n, me); | ~~ | | | Integer {aka long int} Compiling resid_f.c... Compiling residual_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 148 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 171 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling sonenorm_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/ctof' rm -f libpeigs.a ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' touch peigs_stamp.LINUX64 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Compiling dist.c... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Compiling bq_data.F... Compiling bq_input.F... Compiling bq_rtdb.F... Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libbq.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libbq.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libbq.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libbq.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Compiling cons_input.F... Compiling cons_springs.F... Compiling cons.F... Compiling cons_utils.F... Compiling cons_rtdb.F... Compiling cons_data.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Making libraries in NWints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' Compiling intgrl_input.F... Making all in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' Making all in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' Compiling nwcsim_module.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a nwcsim_module.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' Making all in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' Making all in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Compiling cando_sp.F... Compiling exact_mem.F... Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... cando_sp.F:294:0: 294 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling int_2e2c.F... Compiling int_2e3c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... int_projpole.F:168:72: 168 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_projpole.F:88:24: 88 | integer i_gen_save | ^ note: 'i_gen_save' was declared here Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:24: 103 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here int_mpole.F:316:72: 316 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] int_mpole.F:103:36: 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... Compiling intd_init.F... Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... Compiling intd_mpolel.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intdd_1eh1.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... Compiling intp_1eke.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save | ^ Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:24: 83 | integer i_gen_save, j_gen_save | ^ note: 'i_gen_save' was declared here intp_mpole.F:204:72: 204 | if (Lj.eq.-1) j_gen = j_gen_save | ^ Warning: 'j_gen_save' may be used uninitialized [-Wmaybe-uninitialized] intp_mpole.F:83:36: 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here Compiling intpd_1e1cpe.F... intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then | ^ Warning: 'num_int' is used uninitialized [-Wuninitialized] intp_mpolel.F:121:46: 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_angmom.F... Compiling int_veloc.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Compiling int_hf1sp.F... Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ Warning: backslash and newline separated by space make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Making all in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' Making all in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... Compiling xlm_norm.F... Compiling xlmcoeff.F... Compiling int_spcart2.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... Compiling nmcoef2c.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Making all in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Compiling sp1111.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Making all in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' Making all in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Compiling abcd.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Compiling texas_face.F... Compiling texas_hf.F... Compiling big_service.F... Compiling getmem.F... Compiling amshift.F... Compiling assemblx.F... Compiling spec_block.F... Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... Compiling spec_destiny.F... Compiling memoha.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling precalc2.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling prepint.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1621:72: 1621 | fctsp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling missing.f... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS Warning: "USE_TEXAS" redefined :11:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... Compiling derivat.F... Compiling convert.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling test_calc2.f... spec_destiny.F:341:72: 341 | icfx(integ_n0)=iix(1) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][0]' was declared here spec_destiny.F:342:72: 342 | jcfx(integ_n0)=iix(2) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][1]' was declared here spec_destiny.F:343:72: 343 | kcfx(integ_n0)=iix(3) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][2]' was declared here spec_destiny.F:344:72: 344 | lcfx(integ_n0)=iix(4) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:259:19: 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here Compiling screened_op.F... precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:488:24: 488 | est_ip=1.d0 | ^ note: 'est_ip' was declared here precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) spec_destiny.F:1115:72: 1115 | icfx(integ_n0)=iix(1) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][0]' was declared here spec_destiny.F:1116:72: 1116 | jcfx(integ_n0)=iix(2) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][1]' was declared here spec_destiny.F:1117:72: 1117 | kcfx(integ_n0)=iix(3) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][2]' was declared here spec_destiny.F:1118:72: 1118 | lcfx(integ_n0)=iix(4) | ^ Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized [-Wmaybe-uninitialized] spec_destiny.F:1023:19: 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Making all in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_c' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:43:24: 43 | integer n_zeta_c_c ! length of ecp coefficient array | ^ note: 'n_zeta_c_c' was declared here int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then | ^ Warning: 'n_zeta_c_e' may be used uninitialized [-Wmaybe-uninitialized] int_ecp.F:42:24: 42 | integer n_zeta_c_e ! length of ecp exponent array | ^ note: 'n_zeta_c_e' was declared here Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... Compiling ecp_contract.f... Compiling ecp_cstrans.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... ecp_locint1.F:169:72: 169 | wb = prefac*prefactor(j,i)*a_sqrt(j,i)**(p+1) | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ note: 'prefac' was declared here Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' Making all in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Compiling hnd_vstat.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... Compiling hnd_giaspd.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Making all in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rel_onel.F... Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Making all in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' Compiling int_1edk_ga.F... Compiling dk_input.F... Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... Compiling bas_create_uncont.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a intgrl_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' Making libraries in atomscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libguess.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libguess.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libguess.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libguess.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' Making libraries in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... Compiling ga_atom_blk.F... Compiling scf.F... Compiling scf_input.F... Compiling schwarz_init.F... Compiling vectors_inp.F... Compiling int_1e_ga.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_pr.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_orth_mos.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... Compiling movecs_rotate.F... Compiling movecs_molden.F... int_1e_ga.F:706:72: 706 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:625:25: 625 | logical ocache_save | ^ note: 'ocache_save' was declared here Compiling ao_fock_2e.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). int_1e_ga.F:423:72: 423 | ocache=ocache_save | ^ Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] int_1e_ga.F:208:25: 208 | logical ocache_save | ^ note: 'ocache_save' was declared here movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_lock.F... Compiling fock_2e.F... Compiling fock_2e_et.F... Compiling fock_2e_a.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling print_aoints.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... Compiling rohf.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... Compiling rohf_canon.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_k2cf.F... Compiling rohf_precon.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_shift.F... Compiling rohf_step.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_rotate.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling scf_get_info.F... Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... Compiling rohf_fock2g.F... Compiling scf_movecs.F... Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... Compiling rohf_dens.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_phase.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... Compiling do_riscf.F... Compiling riscf_dovecs.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_scat.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf.F... riscf_list.F:101:40: 101 | logical function riscf_del_3c_ints (handle) | ^ Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rohf_diis.F... Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:997:72: 997 | end | ^ Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] vectors.F:873:39: 873 | logical function movecs_converged(rtdb, basis, scftype, filename) | ^ note: '__result_movecs_converged' was declared here rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling localize.F... Compiling int_dip_ga.F... Compiling fock_xc.F... Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_jkfac.F... uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_hessv3.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_cam.F... Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:722:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 722 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:867:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 867 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... rohf_hessv2_ext.F:102:72: 102 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] rohf_hessv2_ext.F:53:21: 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here scf_dump_evp_input.F:74:72: 74 | & action="write",status="replace") | ^ Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] scf_dump_evp_input.F:18:22: 18 | integer :: funit | ^ note: 'funit' declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Making all in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:3799:72: 3799 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:3758:21: 3758 | & dims(3),chunk(3) | ^ note: 'dims' declared here uhf_hessv2_ext.F:2458:72: 2458 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:2418:21: 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' uhf_hessv2_ext.F:343:72: 343 | chunk(1) = dims(1) | ^ Warning: 'dims' is used uninitialized [-Wuninitialized] uhf_hessv2_ext.F:303:21: 303 | & dims(3),chunk(3) | ^ note: 'dims' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here Compiling xlm_poles.F... Compiling cheby.F... Compiling anlfit.F... Compiling fastj.F... Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... Compiling vsint.F... Compiling pot_shell.F... Compiling fastj_direct.F... Compiling fastj_range.f... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) Compiling newfmm.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling potential.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling sint.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here pot_shell.F:203:72: 203 | time_init = time_init + util_cpusec()-start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ note: 'start' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libddscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Making libraries in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' Compiling gradients.F... Compiling grad_force.F... Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... Compiling ga_reorder.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad_getdens.F... Compiling grad2.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' Making libraries in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... Compiling mointdriver.F... Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... Compiling moints_stats.F... Compiling moints_full.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling sifs0.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling sifs1.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:25: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'chunk' was declared here sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk | ^ Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] sifs0.F:138:18: 138 | integer nbig, chunk, nword, ibvfac, space | ^ note: 'nbig' was declared here sifs1.F:2034:72: 2034 | do 250 i = (i1+skipd), i2 | ^ Warning: 'skipd' may be used uninitialized [-Wmaybe-uninitialized] sifs1.F:1914:36: 1914 | & jsym, j1, numtx, skipd, j2 | ^ note: 'skipd' was declared here Compiling moints_cutil.c... Compiling moints_aodisk.F... Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... Compiling moints_aux2.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmoints.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmoints.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmoints.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmoints.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' Making libraries in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' Compiling nwdft.F... Making all in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' Making all in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Compiling dft_inpana.F... Compiling dft_rdinput.F... Compiling dft_input.F... Compiling tol_inp.F... Compiling grid_inp.F... Compiling xc_inp.F... Compiling conv_inp.F... Compiling cdft_inp.F... Compiling occup_input.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:350:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 350 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:485:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 485 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:488:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 488 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:621:24: 418 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 621 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:926:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:928:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 928 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:209:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 209 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1093:28: 1075 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1093 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1114:55: 1072 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1114 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Making all in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... Compiling dft_scf.F... Compiling print_irrep_occp.F... Compiling dft_fockbld.F... Compiling dft_scfutil.F... Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_diagn.F... Compiling dft_canorg.F... Compiling dft_dump_info.F... Compiling dft_fant.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_printinfo.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_fock_efield.F... dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:31: 81 | double precision time1_ke,time2_ke | ^ note: 'time1_ke' was declared here dft_fockbld.F:207:72: 207 | & time2_ke-time1_ke | ^ Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:81:40: 81 | double precision time1_ke,time2_ke | ^ note: 'time2_ke' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:32: 82 | double precision time1_pot,time2_pot | ^ note: 'time1_pot' was declared here dft_fockbld.F:282:72: 282 | & time2_pot-time1_pot | ^ Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] dft_fockbld.F:82:42: 82 | double precision time1_pot,time2_pot | ^ note: 'time2_pot' was declared here Compiling dft_frac_mo.F... dft_diagn.F:172:72: 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_diagn.F:53:28: 53 | double precision time1,time2 | ^ note: 'time1' was declared here dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:404:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 404 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:407:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 407 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:458:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 458 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_nwmolden.F... dft_scf.F:741:61: 362 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 741 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1099:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1099 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1100:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1100 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1101:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1101 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1102:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1102 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1106:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1106 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1751:32: 1749 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1750 | call ecce_print1 ('iterative total energy difference', 1751 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2444:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2444 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2446:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2446 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_spinflip.F... dft_canorg.F:468:72: 468 | dft_nonzvecs=max(noc,dft_nonzvecs) | ^ Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] dft_canorg.F:412:35: 412 | integer function dft_nonzvecs(g_vecs,nbf,noc) | ^ note: '__result_dft_nonzvecs' was declared here dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_quickguess.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1573:13: 1573 | if(lvan) then | ^ Warning: 'lvan' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:56:18: 56 | logical lvan, do_ddl, lbrak, check | ^ note: 'lvan' was declared here dft_scf.F:1287:72: 1287 | & time2-time1 | ^ Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:28: 206 | double precision time1,time2 | ^ note: 'time1' was declared here dft_scf.F:1287:72: 1287 | & time2-time1 | ^ Warning: 'time2' may be used uninitialized [-Wmaybe-uninitialized] dft_scf.F:206:34: 206 | double precision time1,time2 | ^ note: 'time2' was declared here Compiling dft_dencvg.F... Compiling dft_densm.F... Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' Making all in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... Compiling dft_cg_info.F... Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... Compiling dft_roks_fock.F... Compiling dft_roks_hessv_2e.F... Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_roks_nr_solve.F... dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:31: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:41: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:51: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_hessv_2e.F:371:72: 371 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_hessv_2e.F:38:61: 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_uks_energy.F... Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:31: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:41: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:51: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_roks_fock.F:472:72: 472 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_fock.F:110:61: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here Compiling dft_uks_nr_solve.F... dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:32: 58 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_roks_nr_solve.F:58:43: 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here Compiling dft_uks_search_precond.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_uks_step_energy.F... dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:31: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_hessv_2e.F:204:72: 204 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:41: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:51: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_hessv_2e.F:265:72: 265 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_hessv_2e.F:41:61: 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:31: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here dft_uks_energy.F:251:72: 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:41: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:51: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here dft_uks_energy.F:272:72: 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_energy.F:26:61: 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time1_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:32: 46 | double precision time1_rot, time2_rot | ^ note: 'time1_rot' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot | ^ Warning: 'time2_rot' may be used uninitialized [-Wmaybe-uninitialized] dft_uks_nr_solve.F:46:43: 46 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' Making all in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' Compiling dft_scf_so.F... Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... Compiling dft_gradients_so.F... Compiling vectors_so.F... Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling diis_hamwgt_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling diis_refvec_so.F... Compiling movecs_anal_so.F... Compiling getv_coul.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:310:37: 304 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 310 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:707:60: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 707 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1288:48: 1253 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1288 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1885:32: 1883 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1884 | call ecce_print1 ('iterative total energy difference', 1885 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2315:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2315 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2340:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2340 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_orthog_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 | ^ Warning: 'pair' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:53: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'pair' was declared here sym_mo_adapt_so.F:349:72: 349 | irs(i) = i1 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] sym_mo_adapt_so.F:43:47: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... Compiling xc_exso.F... dft_scf_so.F:1759:72: 1759 | ihigh = nfilled + nmo_fon + nmo_fon2 | ^ Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] dft_scf_so.F:60:21: 60 | integer nfilled, ilow, ihigh | ^ note: 'nfilled' was declared here dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling getv_coul_cd.F... vectors_so.F:676:72: 676 | end | ^ Warning: '__result_movecs_converged_so' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:575:42: 575 | logical function movecs_converged_so | ^ note: '__result_movecs_converged_so' was declared here vectors_so.F:917:72: 917 | end | ^ Warning: '__result_spinor_guess' may be used uninitialized [-Wmaybe-uninitialized] vectors_so.F:859:35: 859 | logical function spinor_guess(filename) | ^ note: '__result_spinor_guess' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' Making all in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' Compiling dft_3cincor.F... Compiling dft_mem3c.F... Compiling dft_fitcd.F... Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' Making all in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). 2ndDerivB97.c:592:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:500:10: note: 'Gec_a0_ra' was declared here 500 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ 2ndDerivB97.c:593:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 593 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ 2ndDerivB97.c:501:10: note: 'Gec_b0_rb' was declared here 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling xc_eval_basis.F... Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... Compiling xc_fd.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_pbe96.F... Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... Compiling xc_cm05.F... Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... xc_pbe96.F:1420:72: 1420 | Ec = Ec+nepsc*qwght(n)*fac | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ note: 'fac' was declared here xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_cm06.F... xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at1' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa0' was declared here xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... Compiling xc_xscan.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling xc_cscan.F... Compiling xc_xscanl.F... Compiling xc_cscanl.F... Compiling ts_pc.F... xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ note: 'cc00' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ note: 'cc01' was declared here xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:310:72: 310 | dxda = 2d0*rB2*exp2*x2*(2d0*rB3*oma2 - 1d0)*dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ note: 'dregalpha' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:298:72: 298 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:329:72: 329 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[1]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[2]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[3]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[4]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[5]' was declared here xc_xscan.F:327:72: 327 | dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha | ^ Warning: 'rtemp[6]' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:144:33: 144 | double precision rtemp(0:7), rRegu(0:7), rRegu1(7) | ^ note: 'rtemp[6]' was declared here xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:338:72: 338 | dFxdt = dFxda*dadt | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadt' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'dfcada' was declared here xc_cscan.F:323:72: 323 | dalphadn = 5d0/3d0*(p/ds-alpha)*tueg/((tueg+1d-4*ds)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:338:72: 338 | dfcadg = dfcada*dalphadg | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:330:72: 330 | dfcadn = dfcada*dalphadn | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... Compiling xc_hcth_extra.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... Compiling xc_vdw_util.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' xc_vdw_init.F:206:34: 206 | subroutine init_c6_params_d3 | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' Making all in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... Compiling dft_save_mats.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... Compiling dft_genutils.F... Compiling dft_cholinv.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here dft_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) | ^ Warning: 'get_hi' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:33: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' Making all in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... Compiling grid_setang.F... Compiling grid_invariant.F... Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_tasks.F... grid_list.F:143:25: 143 | if (r.lt.r1) then | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:28: 32 | double precision r, r1, r2, r3, | ^ note: 'r1' was declared here grid_list.F:145:41: 145 | elseif (r.ge.r1.and.r.lt.r2) then | ^ Warning: 'r2' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:32: 32 | double precision r, r1, r2, r3, | ^ note: 'r2' was declared here grid_list.F:149:41: 149 | elseif (r.ge.r2.and.r.lt.r3) then | ^ Warning: 'r3' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:32:36: 32 | double precision r, r1, r2, r3, | ^ note: 'r3' was declared here grid_list.F:151:41: 151 | elseif (r.ge.r3.and.r.lt.r4) then | ^ Warning: 'r4' may be used uninitialized [-Wmaybe-uninitialized] grid_list.F:33:25: 33 | & r4, RR, q1 | ^ note: 'r4' was declared here Compiling grid_gen_pts.F... grid_acc_def.F:336:57: 317 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 336 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:598:56: 420 | & job_grid_acc)) | 2 ...... 598 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). grid_checks.F:66:72: 66 | iangquad=iag_old | ^ Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] grid_checks.F:31:42: 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old | ^ note: 'iag_old' was declared here Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... Compiling grid_qpts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_quadv0.F... Compiling grid_quadv0a.F... Compiling grid_quadv0b.F... Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' Making all in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... Compiling dftg_gridv0.F... Compiling dftg_gridv0b.F... Compiling dftg_griddo.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dftg_getxc.F:218:72: 218 | tol_rho = tol_rho_scf | ^ Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] dftg_getxc.F:50:34: 50 | double precision tol_rho_scf ! store scf tol_rho before hack | ^ note: 'tol_rho_scf' was declared here dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dftg_cdfit.F... Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... Compiling dint_block_j.F... Compiling j_nucder_gen.F... Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' Making all in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' Compiling tddft_energy.F... Compiling tddft_input.F... Compiling tddft_init.F... Compiling tddft_memory.F... Compiling tddft_iguess.F... Compiling tddft_dump.F... Compiling tddft_davidson.F... Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_residual.F... Compiling tddft_analysis.F... Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... tddft_analysis.F:241:46: 216 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 241 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1756:53: 1439 | + 1,osc_str)) then | 2 ...... 1756 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1775:40: 1439 | + 1,osc_str)) then | 2 ...... 1775 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1783:40: 1439 | + 1,osc_str)) then | 2 ...... 1783 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_restart.F... Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... Compiling tddft_lanczos_tda.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_analysis.F:1119:20: 1119 | if (lvelok) then | ^ Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] tddft_analysis.F:149:20: 149 | logical lvelok ! check for division by zero in vel. gauge | ^ note: 'lvelok' was declared here tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_fock_fit.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... Compiling tddft_grad_init.F... Compiling tddft_grad_input.F... Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_load_xy.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_ao2mo.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... Compiling tddft_grad_solve_precond.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_grad_trans_mo2ao.F:196:72: 196 | ahi(1) = ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_trans_mo2ao.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... Compiling tddft_grad_grad_1e.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... tddft_grad_irreg_acc.F:149:72: 149 | ld(2) = lenk | ^ Warning: 'lenk' may be used uninitialized [-Wmaybe-uninitialized] tddft_grad_irreg_acc.F:63:18: 63 | integer lenk ! the number of consequetive functions in the | ^ note: 'lenk' was declared here Compiling tddft_grad_solve_load_x.F... Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Making all in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Compiling dft_zora_utils.F... Compiling dft_zora_utils_so.F... Compiling dft_zora_rhos.F... Compiling dft_zora_rhos_so.F... Compiling gridNuclearPotential.F... Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_EPR-NMR_tools.F... Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_zora_Hyperfine.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling zora_getv_sf.F... dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling zora_getv_so.F... zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling calc_EFG.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_zora_sf.F... dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Making all in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' Compiling dft_vspec.F... Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' Making all in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Compiling rt_tddft.F... Making all in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... Compiling pack_ga2buffer.F... Compiling matutils.F... Compiling dmat_io.F... Compiling zmat_diag.F... Compiling zmat_inv.F... Compiling zmat_checksum.F... Compiling zmat_spectral_range.F... Compiling zmat_max_abs_elem.F... Compiling zmat_compare.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling elem_compare.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling calc_array_partitioning.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' Making all in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... Compiling rt_tddft_calc.F... Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... Compiling rt_tddft_geom_mask.F... Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_excite.F... rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... Compiling rt_tddft_zdens_tot_movecs.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_restart.F... Compiling rt_tddft_mocap.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc_dip_contribs.F... Compiling rt_tddft_spatialcap.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_spatial_potential.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_complex_evals.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' Making all in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... Compiling rt_tddft_input_field.F... Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... Compiling rt_tddft_input_mocap.F... Compiling rt_tddft_input_spatialcap.F... Compiling rt_tddft_input.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input_spatialcap.F:212:72: 212 | qmin(1) = qmin(1)*posconv | ^ Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] rt_tddft_input_spatialcap.F:37:33: 37 | double precision :: posconv | ^ note: 'posconv' was declared here rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' Making all in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... Compiling rt_tddft_init_check_params.F... Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' Making all in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' Making all in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... Compiling exp_pseries.F... Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' Making all in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' Making all in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a rt_tddft.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Making all in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' Compiling nwchem_libxc_read.F... Compiling nwchem_libxc_util.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwchem_libxc_compute.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' Making all in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... Compiling calc_x2c_efg_scalar.F... Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling x2c_utils.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling x2c_scf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_utils.o x2c_scf.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a nwdft.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' Making libraries in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' Compiling rimp2_v_e2.F... Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... Compiling rimp2_timers.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pr_corr_map.F... Compiling prog_report.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/librimp2.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/librimp2.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/librimp2.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/librimp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' Making libraries in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN | ^ Warning: 'lsym' may be used uninitialized [-Wmaybe-uninitialized] stpr_chkhess.F:11:18: 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here Compiling stpr_inihes.F... Compiling stpr_face.F... Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stpr_gen_aux.F:284:72: 284 | end | ^ Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] stpr_gen_aux.F:216:47: 216 | logical function stpr_check_genat_restart( | ^ note: '__result_stpr_check_genat_res' was declared here stpr_gh_at.F:874:12: 874 | if (ogeom_aliased) then | ^ Warning: 'ogeom_aliased' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:59:27: 59 | logical ogeom_aliased | ^ note: 'ogeom_aliased' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg1' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:34: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg1' was declared here stpr_gh_at.F:729:72: 729 | time_taskg = int(1.2d00*(time_taskg1 + time_taskg2)) | ^ Warning: 'time_taskg2' may be used uninitialized [-Wmaybe-uninitialized] stpr_gh_at.F:62:47: 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg2' was declared here Compiling stpr_partit.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libstepper.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libstepper.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libstepper.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libstepper.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' Making libraries in driver make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' Compiling opt_drv.F... Compiling oniom.F... Compiling lbfgs.F... Compiling lbfgs-b.F... Compiling lbfgs-b_driver.F... Compiling lbfgs_driver.F... Compiling lbfgs_utils.F... Compiling socket_driver.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). lbfgs-b.F:3121:41: 3121 | integer pointr,m2,col2,ibd,jy,js,i,j,k | ^ Warning: 'ibd' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). lbfgs-b.F:1464:72: 1464 | t(nbreak) = tl/(-neggi) | ^ Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] lbfgs-b.F:1392:28: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ note: 'tl' was declared here lbfgs-b.F:1392:25: 1392 | + tu,tl,wmc,wmp,wmw,ydot,tj,tj0,neggi,sbgnrm | ^ Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:18: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowx' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:29: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowy' was declared here opt_drv.F:4333:72: 4333 | RX = (RXI + ix*amatangs(1,1)+iy*amatangs(1,2)+iz*amatangs(1,3)) | ^ Warning: 'lowz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:4223:40: 4223 | integer lowx,highx,lowy,highy,lowz,highz | ^ note: 'lowz' was declared here opt_drv.F:2815:72: 2815 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:47: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here opt_drv.F:2816:72: 2816 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:51: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here opt_drv.F:2817:72: 2817 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] opt_drv.F:2765:55: 2765 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdriver.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdriver.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdriver.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdriver.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' Making libraries in optim make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' Making all in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' Compiling deloc_driver.F... Compiling deloc.F... Compiling deloc_utils.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' Making all in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Compiling mepgs_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:47: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here mepgs_drv.F:2300:72: 2300 | work(i3+2,k) = mass*yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:51: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here mepgs_drv.F:2301:72: 2301 | work(i3+3,k) = mass*zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2237:55: 2237 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here mepgs_drv.F:3106:72: 3106 | itlamb = lower + 1.0d-5 | ^ Warning: 'lower' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:3087:58: 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:2804:26: 2804 | integer iact, lowest | ^ note: 'lowest' was declared here mepgs_drv.F:54:72: 54 | energy = energyts | ^ Warning: 'energyts' may be used uninitialized [-Wmaybe-uninitialized] mepgs_drv.F:21:31: 21 | double precision energyts | ^ note: 'energyts' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Making all in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' Compiling tropt_drv.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tropt_drv.F:1833:72: 1833 | work(i3+1,k) = xx | ^ Warning: 'xx' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:47: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'xx' was declared here tropt_drv.F:1834:72: 1834 | work(i3+2,k) = yy | ^ Warning: 'yy' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:51: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'yy' was declared here tropt_drv.F:1835:72: 1835 | work(i3+3,k) = zz | ^ Warning: 'zz' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:1784:55: 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp1' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:27: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp1' was declared here tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) | ^ Warning: 'tmp2' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:3036:32: 3036 | double precision tmp1,tmp2 | ^ note: 'tmp2' was declared here tropt_drv.F:2697:14: 2697 | if (eigval(hfollow).gt.-eigval(bmin)) lambda = eigval(lowest) | ^ Warning: 'bmin' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:24: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'bmin' was declared here tropt_drv.F:2691:10: 2691 | if (abs(gv(lowest)).lt.1.e-8) then | ^ Warning: 'lowest' may be used uninitialized [-Wmaybe-uninitialized] tropt_drv.F:2504:32: 2504 | integer iact, bmin, lowest, nneg | ^ note: 'lowest' was declared here Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' Making all in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' Compiling neb_input.F... Compiling neb_drv.F... Compiling neb_utils.F... Compiling bead_list.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' Making all in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' Compiling string.F... Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a string.o string_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' Making libraries in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... Compiling cphf_solve.F... Compiling cphf_solve2.F... Compiling cphf_solve3.F... Compiling cphf_solve4.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve2.F:166:11: 159 | $ lshift)) lshift=0.0 | 2 ...... 166 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:238:61: 235 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 238 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcphf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcphf.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcphf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcphf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' Making libraries in ccsd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling ccsd_itm.F... Compiling aoccsd2.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... Compiling ccsd.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... Compiling cputime.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccsd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccsd.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccsd.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccsd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' Making libraries in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_wrtfreq.F... Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_thermo.F... Compiling vib_phonon.F... Compiling vib_zone_input.F... Compiling vib_input.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) vib_phonon.F:1076:43: 1076 | real*8 dx,dy,dz,x,y,z,d2,d2min,qrmin,fac | ^ Warning: 'qrmin' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[2]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[0]' was declared here vib_phonon.F:297:72: 297 | > +(kq(3)-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] vib_phonon.F:33:54: 33 | real*8 xx,yy,zz,xxx,yyy,zzz,ks(3),kq(3),kold(3),pathlength,dist | ^ note: 'kold[1]' was declared here Compiling vib_callg.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvib.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvib.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' Making libraries in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' Compiling mcscf.F... Compiling mcscf_b.F... Compiling mcscf_aux.F... Compiling mcscf_ci.F... Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling detci_aux.F... Compiling detci_intf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) detci_aux.F:1140:72: 1140 | 110 cfg(nela+i,1) = kx(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] detci_aux.F:1090:17: 1090 | integer i,j,ii,jj,nopen,noorb,isym | ^ note: 'j' was declared here Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmcscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' Making libraries in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' Compiling prepar.F... Compiling pre_admin.F... Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_charge.F... Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[0]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[0]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[1]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[1]' was declared here pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) | ^ Warning: 'tran[2]' may be used uninitialized [-Wmaybe-uninitialized] pre_collaps.F:45:26: 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here Compiling pre_ffield.F... Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... Compiling pre_links.F... Compiling pre_master.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_merge.F... Compiling pre_misfit.F... Compiling pre_mkfrg.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libprepar.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libprepar.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libprepar.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libprepar.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' Making libraries in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... Compiling esp_input.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_malloc.F... Compiling esp_matinv.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... Compiling esp_wrtinp.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_jacobi.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' Making libraries in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' Compiling hess_blas.F... Compiling hess_input.F... Making all in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Making all in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' Compiling xc_d2expl.F... Compiling hess_anal.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' Compiling hess_init.F... Compiling hess_energyinit.F... Compiling hess_check.F... Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling get_wdens.F... Compiling onedd_calc.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... Compiling hess_pxfy.F... Compiling hess_sxsy.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling sx_dra.F... Compiling hess_wrt.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... Compiling dft_3dacc.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libhessian.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' Making libraries in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... Compiling sigma.F... Compiling conf.F... Compiling ci.F... Compiling initci.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling rdhead.F... Compiling load.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling makehd.F... Compiling eijeji.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... Compiling selci.F... Compiling ptidy.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mkindx.F... Compiling anal.F... Compiling slect.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... Compiling restk.F... Compiling restin.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libselci.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libselci.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libselci.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libselci.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' Making libraries in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' Compiling dplot.F... Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ao_rdm_read.F... Compiling get_transden.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_diffden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dplot.F:448:72: 448 | Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdplot.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdplot.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdplot.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdplot.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' Making libraries in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' Compiling mp2_grad.F... Compiling mp2_energy.F... Compiling mp2_grad_doit.F... Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' mp2_grad_doit.F:179:51: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 2 ...... 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_back_transform.F... Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... Compiling mp2_wijab_uhf.F... Compiling mp2_lai_uhf.F... Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... Compiling mp2_make_tuhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmp2.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmp2.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmp2.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmp2.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' Making libraries in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' Compiling qhop_setup.F... Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... Compiling qhop_pindex.F... Compiling qhop_final.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqhop.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqhop.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqhop.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqhop.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' Making libraries in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' Compiling hnd_efgmap.F... Compiling hnd_efgmap_z4.F... Compiling hnd_elfmap.F... Compiling hnd_elpmap.F... Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... Compiling prop_input.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:255:49: 253 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 254 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 255 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... Compiling wgshiftfile.F... Compiling wshldfile.F... Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... Compiling giaofock.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling hnd_giaox.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_hyperfine_zora.F... Compiling hnd_gshift_zora.F... Compiling hnd_giaox_zora.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... Compiling giao_aotomo.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling hnd_diag.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:171:72: 171 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling hnd_spinspin.F... Compiling hnd_sdfc.F... Compiling hnd_psoten.F... hnd_spinspin.F:318:54: 310 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 318 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_dsoten.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here Compiling prop_atom.F... Compiling aoresponse_driver.F... giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling aoresponse_driver_new.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_mpole_1ega.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling aoresponse.F... Compiling aoresponse_beta.F... hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aor_write_roadata.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta2.F... Compiling fiao_f1_movecs.F... Compiling aor_r1_tensor.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_r1_tensor_giao.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... Compiling get_vecB1.F... hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... Compiling aoresponse_giao_rhs.F... Compiling get_alfaorbeta_reim.F... Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling localization_driver.F... Compiling ibo_localization.F... localization_driver.F:496:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 496 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:542:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 542 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pm_localization.F... Compiling hnd_vec_write.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling giao_b1_movecs_tools.F... get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... Compiling raman_input.F... Compiling raman.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling waimfile.F... hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] Compiling hnd_eldmap_grid.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:643:72: 643 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling prop_moldenfile.F... hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling prop_grid.F... hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1164:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1164 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling prop_polfromsos.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libproperty.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o pm_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libproperty.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libproperty.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libproperty.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' Making libraries in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... Compiling mnsol.F... Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling cosmo_input.F... Compiling cosmo_initialize.F... Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... Compiling cosmo_charges.F... Compiling grad_hnd_cos.F... Compiling hnd_cosmo_lib.F... Compiling hnd_coschg.F... Compiling cosmo_thomson.F... grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:936:17: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 936 | d dbl_mb(i20))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_coschg.F:1223:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1223 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1227:53: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 1227 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1295:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1295 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libsolvation.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libsolvation.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libsolvation.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libsolvation.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' Making libraries in nwpw make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... Compiling nwpw_default.F... Compiling nwpw_vectors_input.F... Making all in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Making all in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Compiling Parallel-mpi.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Compiling D1dB-mpi.F... Compiling D1dBs-mpi.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling D3dBs-new.F... Compiling generate_map_indexes.F... Compiling hilbert.c... Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... Compiling D3dBs_pfft.F... Compiling D3dB-mpi.F... Compiling D3dBs-mpi.F... hilbert.c: In function 'hilbert2d': hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:280:11: warning: 'direction' may be used uninitialized [-Wmaybe-uninitialized] 280 | return direction; | ^~~~~~~~~ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a Pneb.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' Making all in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' Making all in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling saxpy_omp.F... Compiling daxpy_omp.F... Compiling dscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zscal_omp.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Making all in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' Compiling control.F... Compiling psi_get_ne.F... Compiling psi_get_version.F... Compiling psi_get_header.F... Compiling cpsi_get_header.F... Compiling rho_check_header.F... Compiling get_psp_type.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' Making all in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' Compiling lattice.f... Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... Compiling cram.F... Compiling balance.F... Compiling c_balance.F... Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' Making all in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' Making all in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Making all in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling center.f... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... Compiling seperate_pointcharge.F... Compiling ion_scaling_atoms.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... Compiling pspw_atom.c... Compiling pspw_bond.c... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... Compiling hgh_parse.c... Compiling cpi_parse.c... Compiling teter_parse.c... Compiling carter_parse.c... Compiling qmmm_parse.c... Compiling get_word.c... Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^~~~~~~~ carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ get_word.c: In function 'get_line': get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] 33 | if (c=='\n') | ^ get_word.c:28:11: note: 'c' was declared here 28 | int c,i; | ^ cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^~~~ In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling grids.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); | ~~^ ~~~~ | | | | | double * | long unsigned int grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 147 | printf("%lx ", cur->grid); | ~~^ ~~~~~~~~~ | | | | | double * | long unsigned int Compiling atom.c... Compiling schrodin.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ Compiling pauli.c... Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ Compiling zora.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^~~~ Compiling dft.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... Compiling perdew_zunger.c... dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ Compiling vosko.c... Compiling pbe_exchange.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^~~~~~~~~ pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ Compiling pbe_correlation.c... Compiling revpbe_exchange.c... Compiling revpbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ Compiling becke_exchange.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^~~~~~~~ revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ Compiling lyp_correlation.c... Compiling hamann.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ Compiling troullier.c... schrodin.c: In function 'R_Schrodinger': schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ schrodin.c:46:16: note: 'de' was declared here 46 | double E, de, | ^~ troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); | ^~~~~~~~~~~~~~~~~~~ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ Compiling vanderbilt.c... Compiling xpansion2.c... Compiling psp1d.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ gaussj.c: In function 'gaussj': gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:9: note: 'icol' was declared here 27 | int icol,irow; | ^~~~ gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] 62 | if (irow != icol) | ^ gaussj.c:27:14: note: 'irow' was declared here 27 | int icol,irow; | ^~~~ Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ Compiling rtroullier.c... Compiling rpsp.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ Making all in paw_atom rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:281:12: note: 'ddelta' was declared here 281 | double ddelta; | ^~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); | ~~~~~~^~~~~~~ xpansion.c:376:12: note: 'ddelta' was declared here 376 | double ddelta; | ^~~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ rhamann.c:193:17: note: 'w1l_prime' was declared here 193 | double *w1l, *w1l_prime, *w2l, *w2l_prime; | ^~~~~~~~~ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... Compiling paw_atom.c... Compiling paw_scattering.c... Compiling paw_basis.c... Compiling paw_schrodin.c... Compiling paw_pauli.c... Compiling paw_orbitals.c... Compiling paw_potential.c... Compiling paw_kinetic_energy.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^~~~~ Compiling paw_hartree.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^~~~~ paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^~~~~ paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^~~~~ paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); | ^~~~~~~~~~ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... Compiling paw_sdir.c... Compiling paw_my_memory.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 1299 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_talker.c... Compiling nwpw_expression.F... Compiling nwpw_emachine.c... Compiling BA_memory.F... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c: In function 'nwpw_listener_': nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ Compiling btdb.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... Compiling nwpw_born.F... Compiling nwpw_cdft.F... Compiling nwpw_fftpack3d.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... Compiling nwpw_gintegrals3.F... Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Making all in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... Compiling brillioun.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... Compiling frac_occ.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' Making all in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' Making all in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' Making all in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' Compiling ewald.F... Compiling ewald_strfac.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' Making all in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... Compiling metadynamics_aux.F... Compiling metadynamics.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... Compiling tamd.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' Making all in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a fmm.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' Making all in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling feff6Lib.F... Compiling md_xs_input.F... Compiling md_xs.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here feff6Lib.F:11528:72: 11528 | fz1 = fzn+20.0d0*(fz3-fzn)*(blx-xbl+0.05d0) | ^ Warning: 'xbl' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:11512:15: 11512 | xbl = 0.05d0 * (xjbl-1.0d0) - 8.8d0 | ^ note: 'xbl' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' feff6Lib.F:2111:72: 2111 | xk0 = delk * (i-1) + xkmin | ^ Warning: 'xkmin' may be used uninitialized [-Wmaybe-uninitialized] feff6Lib.F:2030:17: 2030 | xkmin = n * delk | ^ note: 'xkmin' was declared here make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... Compiling nwpwxc_vdw3d.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... Compiling nwpwxc_vdw3c.F... Compiling nwpwxcP_xc_b97.c... Compiling nwpwxc_x_b97.F... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^~~~~~ Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... nwpwxc_vdw3b.F:1337:6: 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here 552 | double Gec_a0_ra,Gec_a0_rara; | ^~~~~~~~~ Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... ./build_dftd3a.sh using existing dftd3.tgz patching file nwpwxc_vdw3a.F Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3b.F:1139:9: 1139 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here nwpwxc_vdw3a.F:1785:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1785 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1786:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1786 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1787:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1787 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2373:41: 1788 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2373 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(2)). nwpwxc_vdw3a.F:2458:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2458 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2459:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2459 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2460:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2460 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2461:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2461 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2564:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2564 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2565:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2565 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2605:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2605 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:1972:13: 1972 | . -e6,-e8,edisp | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:1849:24: 1849 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here nwpwxc_vdw3a.F:395:19: 395 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:17: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:398:19: 398 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:19: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:72: 2723 | edisp=-(e6+e8) | ^ Warning: 'e6' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ note: 'e6' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' nwpwxc_vdw3d.F:5:30: 5 | subroutine nwpwxc_copyc6(fname,maxc,max_elem,c6ab,maxci, | ^ note: variable tracking size limit exceeded with '-fvar-tracking-assignments', retrying without make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' Making all in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' Compiling nwpw_library.F... Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' Making all in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Compiling psi_dmatrix.F... Compiling psi_read.F... Compiling psi_write.F... Compiling rho_write.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... Compiling v_psi_write.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... Compiling v_psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... Compiling polarizability.F... Compiling berry_phase_pol.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_symmetrizer.F... psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here psi.F:3224:72: 3224 | Hmm = H1mm + H2mm + Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ note: 'eion' was declared here psi.F:2722:72: 2722 | Hmm = H1mm + H2mm + Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ note: 'eion' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' Compiling psi_H.F... Compiling psi_Hv4.F... Compiling electron.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a ke.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... Compiling coulomb_screened.F... Compiling coulomb_screened_small.F... Compiling coulomb_filter.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... Compiling v_exc.F... make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_dirac.F... Compiling v_bwexc_euv.F... Compiling v_mexc.F... Compiling v_bwexc.F... Compiling nwpw_meta_gga.F... Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:332:72: 332 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc.F:332:72: 332 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here Compiling b3lyp.F... v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:36: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:36: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:398:72: 398 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc_euv.F:398:72: 398 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Compiling vdw-DF.F... Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[8]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_sic.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_shfx.F... Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' Making all in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a ion_ion.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' Making all in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... Compiling psp_olddebug.F... Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... Compiling psp_stress.F... Compiling semicore.F... Compiling semicore_force.F... Compiling psp_U.F... Compiling psp_ld.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:3420:23: 3420 | real*8 wij,taunt | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... Compiling pspw_lmbfgs2.F... Compiling pspw_lmbfgs3.F... Compiling pspw_diis.F... Compiling pspw_rmmdiis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a aorbs.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a truncating_function.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... Compiling psp_formatter.F... Compiling psp_stress_formatter.F... Compiling pawppv1.F... Compiling hghppv1.F... Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... Compiling kbppv3-stress.F... Compiling setup_kbpp.f... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling kbpp_ray.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... Compiling integrate_kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... Compiling kbppv3d_stress.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:184:72: 184 | call Parallel_Brdcst_values(MASTER,msglen,dbl_mb(wp_indx)) | ^ Warning: 'wp_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:38: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'wp_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:184:72: 184 | call Parallel_Brdcst_values(MASTER,msglen,dbl_mb(wp_indx)) | ^ Warning: 'wp_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:38: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'wp_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here kbppv3d.F:297:72: 297 | > ierr) | ^ Warning: 'sc_r_indx' may be used uninitialized [-Wmaybe-uninitialized] kbppv3d.F:39:56: 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... Compiling wvfnc_new.F... Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... Compiling wvfnc_reformat.F... Compiling wvfnc_adjust.F... Compiling wvfnc_ionize.F... Compiling wvfnc_convert_restricted.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... Compiling v_wvfnc_new.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling pspw_wannier_input.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... Compiling silvestrelli_minimize_old.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling pspw_wannier2.F... Compiling pspw_translate.F... Compiling expand_cell.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling wvfnc_expand_cell.F... Compiling band_reformat_c_wvfnc.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling makenodefunctions.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... Compiling cpmd_input.F... Compiling cpsdv5.F... Compiling cpmdv5.F... Compiling mmsdv1.F... Compiling inner_loop_md.F... Compiling mm_loop.F... Compiling psi_lmbda.f... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... Compiling runsocket.F... Compiling inner_loop.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... Compiling pspw_noit_energy.F... Compiling pspw_energy.F... Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... Compiling cgmontecarlov1.F... Compiling cgoptimize1.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling cgmdv5.F... Compiling mmmdv1.F... Compiling cgsd_noit_energy.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_energy.F... Compiling cgsd_excited.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling md_energy.F... Compiling kp_structure.F... cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here cgmontecarlov1.F:832:72: 832 | > dbl_mb(ion_rion_ptr())) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... Compiling analysis.F... Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_APC.F... Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_APC.F:358:72: 358 | > dbl_mb(b(1)+ngs+(i-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here pspw_APC.F:361:72: 361 | > dbl_mb(b(1)+2*ngs+(i-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:364:72: 364 | > dbl_mb(b(1)+3*ngs+(i-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... Compiling cell_optimize.F... Compiling update_unitcell.F... Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... Compiling stress_fd.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' Making all in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... Compiling pspw_springs.F... pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_LJ.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_Q.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_Pair.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a mmq.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Making all in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' Compiling pspw_charge.F... Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... Compiling pspw_dplot.F... Compiling pspw_dplot_iteration.F... Compiling ELF.F... Compiling Ursenbach_smoother.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' Making all in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... Compiling lcao_generate_vnlmatrix.F... Compiling lcao_init_dn.F... Compiling lcao_generate_vhxcmatrix.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcaov1.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a task_pspw.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Making all in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' Making all in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_ma.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' Making all in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' Compiling integrate.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_utils.F... Compiling io_utils.F... Compiling chkerr.F... Compiling double_factorial.f... Compiling bessel_transform.F... Compiling paw_gauss_weights.F... Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' Making all in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' Compiling paw_basis.F... Compiling paw_small_basis.F... Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' Making all in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_proj.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' Making all in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_comp_charge.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_gaunt.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' Compiling paw_matrix_ion.F... Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' Making all in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... Compiling paw_pot_hartree.F... Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' Compiling paw_mult.F... Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_nonlocal.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_density.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' Making all in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' Compiling paw_xc.F... Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' Making all in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_force.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' Compiling paw_lmbfgs.F... Compiling paw_Grsm_list.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' Compiling paw_psi.F... Compiling paw_psi2.F... Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... Compiling paw_geodesic.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' Compiling paw_sd.F... Compiling paw_cpmd.F... Compiling paw_inner_loop.F... Compiling paw_inner_loop_md.F... Compiling psi_marat_write.F... Compiling paw_output.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:200:46: 200 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' Making all in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_minimizer.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... Compiling paw_cell_optimize.F... Compiling paw_update_unitcell.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a task_paw.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpaw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Making all in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Compiling band_input.F... Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_band.F... Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Compiling band_stress.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Compiling band_minimizer.F... Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_bybminimize0.F... Compiling c_bybminimize.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Making all in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' Compiling band_structure.F... Compiling band_interpolate_structure.F... Compiling band_kp_structure.F... Compiling band_fft_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ Warning: 'kold[2]' is used uninitialized [-Wuninitialized] band_structure.F:60:37: Warning: 'kold[1]' is used uninitialized [-Wuninitialized] band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' Compiling band_cpmd.F... Compiling band_sd.F... Compiling band_inner_loop.F... Compiling band_inner_loop_md.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_cpmd.F:1147:72: 1147 | > smearfermi(2),smearfermi(2)*EV | ^ Warning: 'smearfermi' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:69:26: 69 | real*8 smearfermi(2),smearcorrection,smearkT | ^ note: 'smearfermi' declared here band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' Making all in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... Compiling band_update_unitcell.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' Compiling borbs_formatter.F... Compiling cpsp_formatter_auto.F... Compiling kbpp_band.F... Compiling kbpp_band_orb.F... Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... Compiling rkbpp_band.F... Compiling kbpp_e_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band_stress.F... Compiling integrate_kbpp_e_band_stress_local.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local_new.F... rkbpp_band.F:761:72: 761 | f(k)=a*vv*rho(k) | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' Making all in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... Compiling c_wvfnc_expander.F... Compiling c_v_wvfnc_new.F... Compiling c_wvfnc_adjust.F... Compiling pspw_reformat_c_wvfnc.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' Making all in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... Compiling cpsp_projector.F... Compiling cpsp_stress.F... Compiling c_semicore.F... Compiling c_semicore_force.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:934:72: 934 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:42: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1304:72: 1304 | if (occ_tag.gt.0) occ_shift = occ1_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1013:42: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ1_shift' was declared here cpsp.F:1013:31: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1609:33: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a cke.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' Compiling c_coulomb_screened.F... Compiling c_coulomb.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' Compiling c_electron.F... Compiling cpsi_H.F... cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:154:72: 154 | if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' Making all in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... Compiling cpsi_lmbda.F... Compiling c_geodesic2.F... Compiling cpsi_lmbda2.F... Compiling BGrsm.F... Compiling cpsi_KS.F... Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_write.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling crho_read.F... Compiling crho_write.F... Compiling cpsi_new.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_cpsi_new.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_cpsi_read.F... c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here Compiling v_cpsi_write.F... Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Making all in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_hfx.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' Making all in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' Making all in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' Compiling borbs.F... Compiling borb_projector.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a borbs.o borb_projector.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' Making all in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' Compiling band_dplot_input.F... Compiling band_dplot.F... Compiling band_dplot_iteration.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' Making all in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' Compiling band_analysis.F... Compiling orb_pop_borb.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling band_APC.F... Compiling band_atom_Efield.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libband.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Making all in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Compiling task_ofpw.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' Compiling ofpw_minimizer.F... Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_cgsd_energy.F:156:34: 156 | if ((deltae.lt.tole).and. | ^ Warning: 'deltac' may be used uninitialized [-Wmaybe-uninitialized] ofpw_cgsd_energy.F:29:37: 29 | real*8 tole,tolc,deltae,deltac,deltae_old | ^ note: 'deltac' declared here ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... Compiling chi_lmbda.f... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' Making all in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' Making all in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... Compiling chi_write.F... Compiling chi_new.F... Compiling chi_expander.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' Making all in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' Making all in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a v_thomasfermi.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' Making all in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a wgc.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libofpw.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpw.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpw.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' Making libraries in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' Making all in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' Making all in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... Compiling scfti1.F... Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... Compiling spssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb3.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... Compiling spssb5.F... Compiling dpssf.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... Compiling spssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf5.F... Compiling spssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... Compiling dradb2.F... Compiling sradb2.F... Compiling dradb3.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb4.F... Compiling sradb4.F... Compiling dradb5.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... Compiling sradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... Compiling sradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Making all in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' Making all in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' Compiling nwfft3d.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a nwfft3d.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' Making libraries in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' Compiling python_input.F... Compiling task_python.c... Compiling nwchem_wrap.c... Compiling nw_inp_from_string.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpython.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpython.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpython.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwpython.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' Making libraries in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... Compiling ana_hbond.F... Compiling ana_init.F... Compiling ana_index.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... Compiling ana_rama.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... Compiling ana_rdref.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rdtop.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_report.F... Compiling ana_rmsdev.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_tag.F... Compiling ana_task.F... Compiling ana_torsion.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_covar.F... Compiling analyz.F... ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libanalyze.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libanalyze.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libanalyze.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libanalyze.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' Making libraries in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' Compiling nwmd.F... Compiling md_start.F... Compiling md_input.F... Compiling md_main.F... Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwmd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwmd.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwmd.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' Making libraries in cafe make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... Compiling cf_forcep.F... Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... Compiling cf_main.F... Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2134:72: 2134 | rlam(2)=one-rlam(2) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.7884] *)_2233][_32]' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcafe.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcafe.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcafe.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcafe.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' Making libraries in space make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' Compiling sp_init.F... Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:4070:54: 4057 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4070 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4092:28: 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4092 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4119:56: 4107 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4119 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3037:28: 3037 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2610:72: 2610 | lbbl(ibbl,10)=ipl(indx,5) | ^ Warning: 'indx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:22: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'indx' was declared here sp_main.F:2680:72: 2680 | lbbl(ibbl,14)=jpl(jndx,5) | ^ Warning: 'jndx' may be used uninitialized [-Wmaybe-uninitialized] sp_main.F:2560:27: 2560 | integer i,j,indx,jndx,il,ih,jl,jh,indexw,indexs,nndexw,nndexs | ^ note: 'jndx' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libspace.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libspace.a sp_init.o sp_main.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libspace.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libspace.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libspace.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' Making libraries in drdy make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rgsad.F... Compiling rgeom.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mxlneq.F... setpth.F:33:10: 33 | if (u0(ilrg,1)*dir .lt. 0.0d00) then | ^ Warning: 'ilrg' may be used uninitialized [-Wmaybe-uninitialized] setpth.F:12:25: 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) | ^ Warning: 'slast' may be used uninitialized [-Wmaybe-uninitialized] pmlqa.F:25:49: 25 | Double Precision arg,delt,ft,ftlast,s,slast,sum,t,ts,xnorm | ^ note: 'slast' was declared here Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... rsp.F:311:16: 311 | IF (E2(M) .LE. C) GO TO 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] rsp.F:308:10: 308 | C = B * B | ^ note: 'c' was declared here nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdrdy.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdrdy.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdrdy.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdrdy.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' Making libraries in vscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' Compiling vscf_input.F... Compiling vscf.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). vscf.F:1742:72: 1742 | emp1=v(istate) | ^ Warning: 'istate' may be used uninitialized [-Wmaybe-uninitialized] vscf.F:1707:32: 1707 | if (isum.eq.NM) istate=j | ^ note: 'istate' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvscf.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvscf.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvscf.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libvscf.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' Making libraries in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... Compiling qmmm_lbfgsb.F... Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_check_forces.F... Compiling qmmm_bq.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_esp.F... Compiling qmmm_cons.F... Compiling qmmm_geom.F... Compiling qmmm_bq_data.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_qmmm_optimize.F... Compiling task_qmmm_dynamics.F... Compiling qmmm_output.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_dynamics.F:152:21: 152 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling mm_utils.F... qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling qmmm_input.F... qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_cons.F:385:72: 385 | log_mb(i_maps+i-1) = flag | ^ Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:338:18: 338 | logical flag | ^ note: 'flag' was declared here task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_pes.F:24:21: 24 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:316:19: 316 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:272:19: 272 | logical ofile | ^ note: 'ofile' was declared here task_qmmm_optimize.F:654:21: 654 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] Compiling qmmm_property.F... Compiling task_qmmm_fep.F... Compiling task_qmmm_abc.F... task_qmmm_optimize.F:422:72: 422 | return | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_optimize.F:365:21: 365 | logical status | ^ note: 'status' was declared here qmmm_esp.F:436:19: 436 | if(ofile.and.ga_nodeid().eq.0) then | ^ Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:388:19: 388 | logical ofile | ^ note: 'ofile' was declared here task_qmmm_energy.F:1671:72: 1671 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1524:6: 1524 | function task_qmmm_energy_pes(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:1420:72: 1420 | if(nregion.eq.0) return | ^ Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_energy.F:1273:6: 1273 | function task_qmmm_energy_pes0(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here task_qmmm_abc.F:457:21: 457 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:272:21: 272 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:22:21: 22 | logical ostatus | ^ Warning: 'ostatus' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_interface.F:1685:11: 1685 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1669:17: 1669 | integer i,j | ^ note: 'j' was declared here mm_interface.F:1726:11: 1726 | if(int_mb(psl+i-1).eq.ai(j)) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:1710:17: 1710 | integer i,j | ^ note: 'j' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmmm.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmmm.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' Making libraries in qmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' Compiling qmd_init.F... Compiling qmd_driver.F... Compiling qmd_main.F... Compiling qmd_input.F... Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... Compiling qmd_geom_store.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_thermostat.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_kinetic.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_fix_momentum.F... Compiling qmd_sumno.F... Compiling qmd_cavity.F... Compiling qmd_freeze_inactive.F... Compiling qmd_coup.F... Compiling qmd_energy.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... Compiling qmd_tddft_enmo.F... Compiling qmd_namd_init.F... Compiling qmd_namd_input.F... Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_property.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_ext.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmd.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmd.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmd.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libqmd.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' Making libraries in etrans make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' Compiling et_calc.F... Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... Compiling et_vectors_inp.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' Making libraries in tce make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Compiling tce_input.F... Compiling tce_init.F... Compiling tce_energy.F... Compiling tce_energy_fragment.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Making all in include tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:1195:10: 1195 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init.F:48:18: 48 | logical rohf | ^ note: 'rohf' was declared here tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tce_tile.F... Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... Compiling reconcilefile.F... Compiling dratoga.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... Compiling put_block.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... Compiling tce_tidy.F... Compiling sf_test.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' get_block.F:21:17: 21 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... add_block.F:29:17: 29 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... Compiling tce_mod1_new.F... Compiling tce_mod1_offset_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... Compiling tce_ao2e_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... Compiling get_block_ind_sf.F... Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_restart.F... Compiling tce_restart_triples.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' Making all in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... Compiling tce_init_new.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_hybrid_2eorb_split.F... Compiling tce_mo2e_offset_intorb_hybrid.F... tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_2emet4.F... Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK | ^ Warning: 'maxwrk' may be used uninitialized [-Wmaybe-uninitialized] tce_dgeev.F:124:37: 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here Compiling tce_schmidt.F... Compiling tensor_read_write.F... Compiling tce_diis_act.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_diis.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling ma_transpose.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Making all in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' Making all in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' Compiling tce_gradient.F... Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_2pdm_offset.F... Compiling tce_zvec_x1_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' Making all in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' Making all in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' Making all in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' Making all in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' cr_ccsd_t.F:79:72: 79 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:33:21: 33 | integer k_right,l_right | ^ note: 'k_right' declared here cr_ccsd_t.F:82:72: 82 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] cr_ccsd_t.F:32:19: 32 | integer k_den,l_den | ^ note: 'k_den' declared here Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling ccsdt2_q.F... Compiling ccsdt2_q_left.F... ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' Making all in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... Compiling cr_eomccsd_t_gr.F... Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' Making all in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' Making all in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... Compiling emb2.F... emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' Making all in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' Making all in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' Making all in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' Making all in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' Making all in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Making all in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' Making all in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' Making all in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' Making all in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' Compiling mbpt4_e.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a mbpt4_e.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' Making all in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' Making all in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' Making all in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' Making all in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' Making all in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t2a.F... Compiling ccsd_t1a.F... Compiling activity.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Making all in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' Making all in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' Making all in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hphp.F make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' Making all in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' Making all in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... Compiling tce_print_eax1.F... Compiling tce_print_eax2.F... Compiling tce_eax1_offset.F... Compiling tce_eax2_offset.F... Compiling tce_eom_eaxguess.F... Compiling tce_jacobi_eax1.F... Compiling tce_jacobi_eax2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a eaccsd_x1.o eaccsd_x2.o tce_print_eax1.o tce_print_eax2.o tce_eax1_offset.o tce_eax2_offset.o tce_eom_eaxguess.o tce_jacobi_eax1.o tce_jacobi_eax2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' Making all in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... Compiling tce_ipx1_offset.F... Compiling tce_ipx2_offset.F... Compiling tce_eom_ipxguess.F... Compiling tce_jacobi_ipx1.F... Compiling tce_jacobi_ipx2.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ipccsd_x1.o ipccsd_x2.o tce_print_ipx1.o tce_print_ipx2.o tce_ipx1_offset.o tce_ipx2_offset.o tce_eom_ipxguess.o tce_jacobi_ipx1.o tce_jacobi_ipx2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' Making all in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' Making all in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' Making all in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' Making all in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' Making all in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' Making all in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' Making all in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' Compiling tce_mrcc_input.F... Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' tce_mrcc_input.F:127:55: 87 | if (.not.rtdb_put(rtdb,'mrcc:usescffermiv',mt_log,1,.true.)) | 2 ...... 127 | if (.not.rtdb_put(rtdb,'mrcc:subsize',mt_int,1,isubsize)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... Compiling tce_mrcc_sortint.F... Compiling tce_mrcc_tile.F... Compiling tce_mrcc_macpy.F... Compiling tce_mrcc_fillindexarray.F... Compiling tce_mrcc_uhf.F... Compiling pgcreatefile.F... Compiling create_mr_evl_sorted.F... Compiling tce_mrcc_mo2e.F... Compiling tce_mrcc_ao2e.F... tce_mrcc_tile.F:180:50: 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 180 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_subnxtask.F... Compiling tce_mrcc_sublock.c... tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) | 2 ...... 207 | if (.not.rtdb_get(rtdb,'mrcc:icheckpoint',mt_int,1,icheckpoint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_mrcc_energy.F:2160:54: 365 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 2160 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,epsilon+enrep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_energy.F:3172:72: 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling eaf_mrcc.F... tce_subnxtask.F:85:72: 85 | end | ^ Warning: '__result_nxtasksub' may be used uninitialized [-Wmaybe-uninitialized] tce_subnxtask.F:1:32: 1 | integer function nxtasksub(nproc,ichunk,p_handle) | ^ note: '__result_nxtasksub' was declared here Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... Compiling tce_mrcc_refs_sym.F... Compiling tce_mrcc_force_orben.F... Compiling tce_mrcc_diis_init.F... Compiling tce_mrcc_heff.F... Compiling tce_mrcc_diis.F... Compiling tce_mrcc_jacobi_t1.F... Compiling tce_mrcc_jacobi_t2.F... Compiling tce_mrcc_gacp.F... Compiling tce_mrcc_daxfile.F... Compiling tce_mrcc_diis_tidy.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) | 2 ...... 1274 | if (.not.rtdb_get(rtdb,'mrcc:rootmuc'//ds,mt_dbl,1,dvalue)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_mrcc_heff.F:1454:46: 1224 | call ga_brdcst(Msg_Vec_EVal+21,dbl_mb(k_sqc), | 2 ...... 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling tce_jacobi_sub_t1.F... Compiling tce_jacobi_sub_t2.F... tce_mrcc_tile.F:671:72: 671 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_tile.F:45:23: 45 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_mrcc_c1.F... Compiling tce_mrcc_c1_offset.F... Compiling tce_mrcc_c2.F... Compiling tce_mrcc_c2_offset.F... Compiling tce_mrcc_mul_1.F... Compiling tce_mrcc_mul_2.F... Compiling tce_mrcc_diis_save.F... Compiling tce_mrcc_diis_new.F... Compiling tce_mrcc_create_cas1.F... Compiling atpart_nalength_mrcc.F... Compiling new_ga4ind_N5uhf_mrcc_lm2.F... tce_mrcc_create_cas1.F:109:14: 109 | if(k.le.(id+ia)) iacounts(k) = 1 | ^ Warning: 'ia' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:21: 24 | integer id,ia,ib | ^ note: 'ia' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:24: 24 | integer id,ia,ib | ^ note: 'ib' was declared here tce_mrcc_create_cas1.F:119:72: 119 | do k=1,id+ib | ^ Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_create_cas1.F:24:18: 24 | integer id,ia,ib | ^ note: 'id' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Making all in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN | ^ Warning: 'count' may be used uninitialized [-Wmaybe-uninitialized] tce_mrcc_heff.F:1506:21: 1506 | INTEGER count | ^ note: 'count' was declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Compiling mr_ccsd_e.F... Compiling mr_ccsd_t1.F... Compiling mr_ccsd_dcl.F... Compiling mr_ccsd_t2.F... Compiling T2_C2_1.F... Compiling T2_C2.F... Compiling T2_pg_C2_1.F... Compiling T2_pg_C2.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a mr_ccsd_e.o mr_ccsd_t1.o mr_ccsd_t2.o mr_ccsd_dcl.o T2_C2_1.o T2_C2.o T2_pg_C2_1.o T2_pg_C2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Making all in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' Compiling ccsd_st1.F... Compiling ccsd_st2.F... Compiling ccsd_se.F... Compiling ccsd_dcl_sub.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a ccsd_st1.o ccsd_st2.o ccsd_se.o ccsd_dcl_sub.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' Making all in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... Compiling tce_mrcc_ccsdpt.F... Compiling tce_mrcc_ccsdpt_subg.F... Compiling tce_mrcc_q3vnt1_subg.F... Compiling tce_mrcc_q3fnt2_subg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_mrcc_q3vnt1.o tce_mrcc_q3vnt2.o tce_mrcc_q3fnt2.o tce_mrcc_ccsdpt.o tce_mrcc_ccsdpt_subg.o tce_mrcc_q3vnt1_subg.o tce_mrcc_q3fnt2_subg.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' Making all in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' Compiling tce_uss_offdiagonal_1.F... Compiling tce_uss_offdiagonal_2.F... Compiling tce_uss_offdiagonal_3.F... Compiling tce_uss_offdiagonal_4.F... Compiling ccsd_r3.F... Compiling ccsd_r4.F... Compiling tce_uss_aux.F... Compiling tce_uss_T1_R1.F... Compiling tce_uss_T2_R2.F... tce_uss_offdiagonal_4.F:80:72: 80 | &b,t_h2b,t_h3b,t_h4b,t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_r4a' is used uninitialized [-Wuninitialized] tce_uss_offdiagonal_4.F:33:25: 33 | integer l_r4a,k_r4a | ^ note: 'k_r4a' declared here tce_uss_offdiagonal_1.F:376:11: 376 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_1.F:38:35: 38 | integer sizenew,ihashold,ioff,sizenew1,ioff1,ioff2 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_2.F:417:11: 417 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_2.F:42:35: 42 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_4.F:465:11: 465 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_4.F:49:35: 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here tce_uss_offdiagonal_3.F:462:11: 462 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] tce_uss_offdiagonal_3.F:57:35: 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_uss_offdiagonal_1.o tce_uss_offdiagonal_2.o tce_uss_offdiagonal_3.o tce_uss_offdiagonal_4.o ccsd_r3.o ccsd_r4.o tce_uss_aux.o tce_uss_T1_R1.o tce_uss_T2_R2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_mrcc_input.o tce_mrcc_energy.o tce_mrcc_readref.o tce_mrcc_calcexcit.o tce_mrcc_sortint.o tce_mrcc_tile.o tce_mrcc_macpy.o tce_mrcc_fillindexarray.o tce_mrcc_uhf.o create_mr_evl_sorted.o pgcreatefile.o tce_mrcc_mo2e.o tce_mrcc_ao2e.o tce_subnxtask.o tce_mrcc_sublock.o eaf_mrcc.o tce_t3ac_offset.o tce_t4ac_offset.o tce_mrcc_refs_sym.o tce_mrcc_force_orben.o tce_mrcc_diis_init.o tce_mrcc_heff.o tce_mrcc_diis.o tce_mrcc_jacobi_t1.o tce_mrcc_jacobi_t2.o tce_mrcc_gacp.o tce_mrcc_daxfile.o tce_mrcc_diis_tidy.o tce_jacobi_sub_t1.o tce_jacobi_sub_t2.o tce_mrcc_c1.o tce_mrcc_c1_offset.o tce_mrcc_c2.o tce_mrcc_c2_offset.o tce_mrcc_mul_1.o tce_mrcc_mul_2.o tce_mrcc_diis_save.o tce_mrcc_diis_new.o tce_mrcc_create_cas1.o atpart_nalength_mrcc.o new_ga4ind_N5uhf_mrcc_lm2.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' Making libraries in mm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' Compiling mm_input.F... Compiling mm_data.F... Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... Compiling mm_link.F... Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) mm_link.F:365:72: 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:17: 297 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:368:72: 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:297:22: 297 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:487:72: 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale | ^ Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:17: 420 | integer i_i, i_j | ^ note: 'i_i' was declared here mm_link.F:490:72: 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale | ^ Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:420:22: 420 | integer i_i, i_j | ^ note: 'i_j' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:28: 812 | double precision rq,rl,rh | ^ note: 'rl' was declared here mm_link.F:828:72: 828 | rh = rq - (rq-rl)*a | ^ Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] mm_link.F:812:25: 812 | double precision rq,rl,rh | ^ note: 'rq' was declared here mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:16: 1454 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:20: 1454 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1511:72: 1511 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:24: 1454 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1514:72: 1514 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1454:28: 1454 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:16: 1140 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:20: 1140 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1173:72: 1173 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1140:24: 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:16: 1597 | integer i1, i2, i3, i4 | ^ note: 'i1' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:20: 1597 | integer i1, i2, i3, i4 | ^ note: 'i2' was declared here mm_bond.F:1654:72: 1654 | xkj = br(1,i3)-br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:24: 1597 | integer i1, i2, i3, i4 | ^ note: 'i3' was declared here mm_bond.F:1657:72: 1657 | xkl = br(1,i3)-br(1,i4) | ^ Warning: 'i4' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1597:28: 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:16: 1226 | integer i1, i2, i3 | ^ note: 'i1' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:20: 1226 | integer i1, i2, i3 | ^ note: 'i2' was declared here mm_bond.F:1261:72: 1261 | xkj = br(1,i3) - br(1,i2) | ^ Warning: 'i3' may be used uninitialized [-Wmaybe-uninitialized] mm_bond.F:1226:24: 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libperfm.a'. make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Making libraries in dntmc make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' Compiling dntmc_input.F... Compiling dntmc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4594:72: 4594 | NUMBER(I,J) = NUMBER(I,J) + 1 | ^ Warning: 'spctagpoint' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:4549:36: 4549 | integer spctagsum, spctagpoint | ^ note: 'spctagpoint' was declared here gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.5834] *)_566][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.6517] *)_543][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7263] *)_487][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdntmc.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdntmc.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdntmc.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdntmc.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' Making libraries in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdangchang.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdangchang.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdangchang.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdangchang.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' Making libraries in ccca make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' Compiling task_ccca.F... Compiling ccca_utils.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccca.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccca.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccca.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libccca.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' Making libraries in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' Compiling dimqm_input.F... Compiling dimpar_input.F... Compiling dimqm_prep.F... Compiling dimqm_main.F... Compiling dimqm_polarizability.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_f2d.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_iterative.F... Compiling qmr_real.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmr_complex.F... dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... Compiling matvecComplex.F... Compiling dimqm_EqmE.F... Compiling t2.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... Compiling dimqm_addop.F... Compiling dimqm_lclfld.F... Compiling seeded_qmr_real.F... Compiling qmr_seed_real.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... Compiling dimqm_tidy.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_complex.F... Compiling seeded_qmr_complex.F... Compiling dimqm_broadcast.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling CubicSpline.F... Compiling dim_fock_xc.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dim_getv.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dim_tabcd.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dim_eval_fnl.F... dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:31: 78 | double precision time1_xc,time2_xc | ^ note: 'time1_xc' was declared here dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] dim_getv.F:78:40: 78 | double precision time1_xc,time2_xc | ^ note: 'time2_xc' was declared here Compiling dim_grid_quadv0.F... Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... Compiling dimqm_util.F... Compiling dimqm_addop_uhf.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdimqm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdimqm.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdimqm.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libdimqm.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' Making libraries in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... Compiling fcidump_header.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libfcidump.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libfcidump.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libfcidump.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libfcidump.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' Making libraries in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... Compiling gw_defaults.F... Compiling gw_init.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_cdgw_graph.F... Compiling gw_analytic.F... Compiling gw_analytic_newton.F... Compiling gw_analytic_graph.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). gw_cdgw_graph.F:326:72: 326 | $ resmat(1:npoints,iqp) ),dim=1)) | ^ Warning: 'npoints' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:33:61: 33 | integer llqp, ulqp, ipoints, icluster, qplimit, npoints | ^ note: 'npoints' was declared here gw_cdgw_graph.F:328:72: 328 | $ resmat(1:npoints,iqp))),2*nspace) | ^ Warning: 'nspace' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_graph.F:35:60: 35 | double precision timer, timer2, rms3(3), const, nspace | ^ note: 'nspace' was declared here Compiling gw_ri_init.F... Compiling gw_invdiag.F... Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... Compiling gw_cdgw_buildrn_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' Making libraries in 64to32blas make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/lib64to32.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/lib64to32.a echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/lib64to32.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/lib64to32.a make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-mpich'" -DNWCHEM_BRANCH="'7.2.3'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-mpich'" -DNWCHEM_BRANCH="'7.2.3'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' gfortran -L/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu/mpich/lib -o /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-mpich -lscalapack-mpich -llapack -lblas -larmci-mpich -larmci-mpich -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-mpich -l64to32 "-llapack" -lblas -llapack -larmci-mpich -lpthread -lnwcutil -L/usr/lib/python3.12/config-3.12-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.12 -ldl -lm -L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich -lhwloc /bin/rm -f nwchem.o stubs.o make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Compiling util_module_avail.F... Compiling util_version.F... Compiling util_nwchem_version.F... Compiling util_scalapack_info.F... make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making all in md5 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[3]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a'. make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a util_module_avail.o util_version.o util_nwchem_version.o util_scalapack_info.o echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make nwchem.o stubs.o make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-mpich'" -DNWCHEM_BRANCH="'7.2.3'" -c -o nwchem.o nwchem.F gfortran -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/build/reproducible-path/nwchem-7.2.3/build-mpich'" -DNWCHEM_BRANCH="'7.2.3'" -c -o stubs.o stubs.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' gfortran -L/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 -L/usr/lib/aarch64-linux-gnu/mpich/lib -o /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga-mpich -lscalapack-mpich -llapack -lblas -larmci-mpich -larmci-mpich -lpeigs -lperfm -lcons -lbq -lnwcutil -lscalapack-mpich -l64to32 "-llapack" -lblas -llapack -larmci-mpich -lpthread -lnwcutil -L/usr/lib/python3.12/config-3.12-aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpython3.12 -ldl -lm -L/usr/lib/aarch64-linux-gnu/mpich/lib -lmpichfort -lmpich -lhwloc make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64 test -d /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64 ./util/util_nwchem_version.bash make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** rm -f 64_to_32 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ make SKIP_COMPILERS=1 QUICK_BUILD=1 -C $dir 32_to_64 || exit 1 ; \ done make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' Nothing to be done make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/include' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Making 32_to_64 in hdbm make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/task' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making 32_to_64 in md5 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F util_dpofa.F util_dgedi.F ma_solve.F zfill.f util_memcpy.c converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK converting util_dpofa.F to 32-bit integers for BLAS/LAPACK converting util_dgedi.F to 32-bit integers for BLAS/LAPACK converting ma_solve.F to 32-bit integers for BLAS/LAPACK converting zfill.f to 32-bit integers for BLAS/LAPACK converting util_memcpy.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' (cd ./src/c; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/c' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 *c *f *F converting b_ortho.c to 32-bit integers for BLAS/LAPACK converting chol_bcst.c to 32-bit integers for BLAS/LAPACK converting choleski9.c to 32-bit integers for BLAS/LAPACK converting ci_entry.c to 32-bit integers for BLAS/LAPACK converting clustrf3.c to 32-bit integers for BLAS/LAPACK converting clustrf4.c to 32-bit integers for BLAS/LAPACK converting clustrf5.c to 32-bit integers for BLAS/LAPACK converting clustrfix.c to 32-bit integers for BLAS/LAPACK converting clustrxx3.c to 32-bit integers for BLAS/LAPACK converting clustrxx30.c to 32-bit integers for BLAS/LAPACK converting clustrxx31.c to 32-bit integers for BLAS/LAPACK converting clustrxx33.c to 32-bit integers for BLAS/LAPACK converting clustrxx4.c to 32-bit integers for BLAS/LAPACK converting clustrxx5.c to 32-bit integers for BLAS/LAPACK converting clustrxx99.c to 32-bit integers for BLAS/LAPACK converting conjug22.c to 32-bit integers for BLAS/LAPACK converting de_sym.c to 32-bit integers for BLAS/LAPACK converting exit.c to 32-bit integers for BLAS/LAPACK converting exit2.c to 32-bit integers for BLAS/LAPACK converting forLL.c to 32-bit integers for BLAS/LAPACK converting forLU.c to 32-bit integers for BLAS/LAPACK converting gmax.c to 32-bit integers for BLAS/LAPACK converting inv_it3.c to 32-bit integers for BLAS/LAPACK converting inv_it4.c to 32-bit integers for BLAS/LAPACK converting inv_it44.c to 32-bit integers for BLAS/LAPACK converting inv_it5.c to 32-bit integers for BLAS/LAPACK converting inv_it6.c to 32-bit integers for BLAS/LAPACK converting inverse.c to 32-bit integers for BLAS/LAPACK converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK converting mapchk.c to 32-bit integers for BLAS/LAPACK converting mapdif.c to 32-bit integers for BLAS/LAPACK converting mapdif1.c to 32-bit integers for BLAS/LAPACK converting matmax.c to 32-bit integers for BLAS/LAPACK converting mdif2b.c to 32-bit integers for BLAS/LAPACK converting mdiff1.c to 32-bit integers for BLAS/LAPACK converting mdiff2.c to 32-bit integers for BLAS/LAPACK converting memreq.c to 32-bit integers for BLAS/LAPACK converting memreq2.c to 32-bit integers for BLAS/LAPACK converting memreq_eval.c to 32-bit integers for BLAS/LAPACK converting memreq_f.c to 32-bit integers for BLAS/LAPACK converting mgs4.c to 32-bit integers for BLAS/LAPACK converting mgs5.c to 32-bit integers for BLAS/LAPACK converting mgscs.c to 32-bit integers for BLAS/LAPACK converting mxm25.c to 32-bit integers for BLAS/LAPACK converting mxm5x.c to 32-bit integers for BLAS/LAPACK converting mxm88.c to 32-bit integers for BLAS/LAPACK converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK converting onenorm.c to 32-bit integers for BLAS/LAPACK converting ortho.c to 32-bit integers for BLAS/LAPACK converting ortho2.c to 32-bit integers for BLAS/LAPACK converting pdcomplex.c to 32-bit integers for BLAS/LAPACK converting pdiff.c to 32-bit integers for BLAS/LAPACK converting pdspev_c.c to 32-bit integers for BLAS/LAPACK converting pdspeval.c to 32-bit integers for BLAS/LAPACK converting pdspevx.c to 32-bit integers for BLAS/LAPACK converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK converting pdspgvx.c to 32-bit integers for BLAS/LAPACK converting pdsptri.c to 32-bit integers for BLAS/LAPACK converting pdsptri2.c to 32-bit integers for BLAS/LAPACK converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK converting pgexit.c to 32-bit integers for BLAS/LAPACK converting pipe_fut.c to 32-bit integers for BLAS/LAPACK converting pmmLSL.c to 32-bit integers for BLAS/LAPACK converting pmmLUL.c to 32-bit integers for BLAS/LAPACK converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK converting pscale.c to 32-bit integers for BLAS/LAPACK converting pstebz10.c to 32-bit integers for BLAS/LAPACK converting pstebz11.c to 32-bit integers for BLAS/LAPACK converting pstebz9.c to 32-bit integers for BLAS/LAPACK converting pstein3.c to 32-bit integers for BLAS/LAPACK converting pstein4.c to 32-bit integers for BLAS/LAPACK converting pstein44.c to 32-bit integers for BLAS/LAPACK converting pstein5.c to 32-bit integers for BLAS/LAPACK converting pxerbla.c to 32-bit integers for BLAS/LAPACK converting qsort.c to 32-bit integers for BLAS/LAPACK converting r_ritz.c to 32-bit integers for BLAS/LAPACK converting reducemap.c to 32-bit integers for BLAS/LAPACK converting resid.c to 32-bit integers for BLAS/LAPACK converting residual.c to 32-bit integers for BLAS/LAPACK converting sfnorm.c to 32-bit integers for BLAS/LAPACK converting shellsort.c to 32-bit integers for BLAS/LAPACK converting soluf.c to 32-bit integers for BLAS/LAPACK converting sonenorm.c to 32-bit integers for BLAS/LAPACK converting soort.c to 32-bit integers for BLAS/LAPACK converting sort.c to 32-bit integers for BLAS/LAPACK converting sorteig.c to 32-bit integers for BLAS/LAPACK converting tred22.c to 32-bit integers for BLAS/LAPACK converting treesort3.c to 32-bit integers for BLAS/LAPACK converting tresid.c to 32-bit integers for BLAS/LAPACK converting util.c to 32-bit integers for BLAS/LAPACK converting xerbla.c to 32-bit integers for BLAS/LAPACK converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK converting gdot.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/c' (cd ./src/f77; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' (cd ./comm; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/comm' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 *h *F converting cmbbfr1.h to 32-bit integers for BLAS/LAPACK converting datasizes.h to 32-bit integers for BLAS/LAPACK converting defines.h to 32-bit integers for BLAS/LAPACK converting mxsubs.h to 32-bit integers for BLAS/LAPACK converting maxx.F to 32-bit integers for BLAS/LAPACK converting mxbrod.F to 32-bit integers for BLAS/LAPACK converting mxcombv1.F to 32-bit integers for BLAS/LAPACK converting mxsubs.F to 32-bit integers for BLAS/LAPACK converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK converting sum.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/comm' (cd ./ctof; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/ctof' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 *c converting bortho_f.c to 32-bit integers for BLAS/LAPACK converting choleski_f.c to 32-bit integers for BLAS/LAPACK converting inverse_f.c to 32-bit integers for BLAS/LAPACK converting mxm25_f.c to 32-bit integers for BLAS/LAPACK converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK converting mxm88_f.c to 32-bit integers for BLAS/LAPACK converting onenorm_f.c to 32-bit integers for BLAS/LAPACK converting ortho_f.c to 32-bit integers for BLAS/LAPACK converting pdspev_f.c to 32-bit integers for BLAS/LAPACK converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK converting resid_f.c to 32-bit integers for BLAS/LAPACK converting residual_f.c to 32-bit integers for BLAS/LAPACK converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK converting tresid_f.c to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/ctof' (cd ./h; make 32_to_64) make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/h' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 blas_lapack.h peigs_types.h converting blas_lapack.h to 32-bit integers for BLAS/LAPACK converting peigs_types.h to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/h' make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' Making 32_to_64 in simint make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' Making 32_to_64 in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/module' Making 32_to_64 in source make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint/source' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/simint' Making 32_to_64 in api make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' Making 32_to_64 in int make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/int' Making 32_to_64 in auxil make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Making 32_to_64 in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ints_sp' Making 32_to_64 in deriv make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/deriv' Making 32_to_64 in texas make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/texas' Making 32_to_64 in ecp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/ecp' Making 32_to_64 in hondo make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_ops.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_ops.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/hondo' Making 32_to_64 in rel make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Making 32_to_64 in dk make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/atomscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Making 32_to_64 in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F cheby.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK converting cheby.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F cosmo_fock.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK converting cosmo_fock.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/include' Making 32_to_64 in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Making 32_to_64 in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F dft_diagn.F dft_spinflip.F dft_pstat.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK converting dft_diagn.F to 32-bit integers for BLAS/LAPACK converting dft_spinflip.F to 32-bit integers for BLAS/LAPACK converting dft_pstat.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' Making 32_to_64 in scf_dft_cg make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft_cg' Making 32_to_64 in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/so_dft' Making 32_to_64 in coulomb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/coulomb' Making 32_to_64 in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F xc_hcth.F ts_tf.F xc_xn12.F xc_util.F xc_tabcd_adft.F xc_rhogen_adft.F xc_getvxc.F xc_lb94.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK converting xc_hcth.F to 32-bit integers for BLAS/LAPACK converting ts_tf.F to 32-bit integers for BLAS/LAPACK converting xc_xn12.F to 32-bit integers for BLAS/LAPACK converting xc_util.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd_adft.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen_adft.F to 32-bit integers for BLAS/LAPACK converting xc_getvxc.F to 32-bit integers for BLAS/LAPACK converting xc_lb94.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/xc' Making 32_to_64 in util make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ga_chol_seq.F ga_inv_seq.F int_1e_fde.F dft_utilmap.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK converting int_1e_fde.F to 32-bit integers for BLAS/LAPACK converting dft_utilmap.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/util' Making 32_to_64 in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' Making 32_to_64 in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F dftg_quadv0b_adft.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b_adft.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' Making 32_to_64 in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F tddft_civecs_phase.F tddft_fock_fit.F tddft_memory.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK converting tddft_civecs_phase.F to 32-bit integers for BLAS/LAPACK converting tddft_fock_fit.F to 32-bit integers for BLAS/LAPACK converting tddft_memory.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' Making 32_to_64 in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Making 32_to_64 in zora make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F zora_getv_HFine.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK converting zora_getv_HFine.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Making 32_to_64 in spec make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/spec' Making 32_to_64 in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Making 32_to_64 in matutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/matutils' Making 32_to_64 in rtutils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/rtutils' Making 32_to_64 in input make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/input' Making 32_to_64 in init make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/init' Making 32_to_64 in canorg make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/canorg' Making 32_to_64 in propagators make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' Making 32_to_64 in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/closedshell' Making 32_to_64 in openshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/openshell' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft' Making 32_to_64 in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nwchem_libxc_compute.F converting nwchem_libxc_compute.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/libxc' Making 32_to_64 in x2c make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rimp2' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/stepper' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F socket_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK converting socket_driver.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' Making 32_to_64 in deloc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/deloc' Making 32_to_64 in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Making 32_to_64 in tropt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/tropt' Making 32_to_64 in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/neb' Making 32_to_64 in string make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 string.F converting string.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/string' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cphf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F ccsd_fsig1.F ccsd_fsig2.F ccsd_trpdrv_bgp2.F ccsd_trpdrv_offload.F ccsd_trpdrv_openacc.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_bgp2.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_offload.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_openacc.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccsd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' Making 32_to_64 in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F mcscf.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK converting mcscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/prepar' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' Making 32_to_64 in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' Making 32_to_64 in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F couple.c converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK converting couple.c to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dplot' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qhop' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F hnd_eldmap_grid.F ibo_localization.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK converting hnd_eldmap_grid.F to 32-bit integers for BLAS/LAPACK converting ibo_localization.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/property' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 hnd_cosmo_lib.F cosmo_lebedev.F cosmo_thomson.F grad_hnd_cos.F hnd_coschg.F converting hnd_cosmo_lib.F to 32-bit integers for BLAS/LAPACK converting cosmo_lebedev.F to 32-bit integers for BLAS/LAPACK converting cosmo_thomson.F to 32-bit integers for BLAS/LAPACK converting grad_hnd_cos.F to 32-bit integers for BLAS/LAPACK converting hnd_coschg.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/solvation' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Making 32_to_64 in nwpwlib make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' Making 32_to_64 in Parallel make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Parallel' Making 32_to_64 in D1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 D1dB-mpi.F D1dBs-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D1dBs-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D1dB' Making 32_to_64 in D3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F D3dBs-new.F D3dBs_pfft.F D3dBs-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting D3dBs-new.F to 32-bit integers for BLAS/LAPACK converting D3dBs_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dBs-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/D3dB' Making 32_to_64 in Pneb make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/Pneb' Making 32_to_64 in K1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/K1dB' Making 32_to_64 in C1dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 C1dB-mpi.F converting C1dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C1dB' Making 32_to_64 in C3dB make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/C3dB' Making 32_to_64 in DMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/DMatrix' Making 32_to_64 in CMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/CMatrix' Making 32_to_64 in TMatrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 dgemm_omp.F sgemm_omp.F ffm_multiply_omp_group.F zgemm_omp.F ffw_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting sgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK converting zgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffw_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Making 32_to_64 in control make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 control.F converting control.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/control' Making 32_to_64 in lattice make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/lattice' Making 32_to_64 in io make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/io' Making 32_to_64 in ion make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Making 32_to_64 in shake make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F ion_scaling_atoms.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK converting ion_scaling_atoms.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' Making 32_to_64 in pseudopotential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential' Making 32_to_64 in utilities make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Making 32_to_64 in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_gintegrals.F nwpw_gintegrals2.F nwpw_gintegrals3.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals2.F to 32-bit integers for BLAS/LAPACK converting nwpw_gintegrals3.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F nwpw_fftpack3d.F nwpw_kbpp_ray.F paw_utilities/nwpw_compcharge2.F task_paulsmatrix.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK converting nwpw_fftpack3d.F to 32-bit integers for BLAS/LAPACK converting nwpw_kbpp_ray.F to 32-bit integers for BLAS/LAPACK converting paw_utilities/nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK converting task_paulsmatrix.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' Making 32_to_64 in unitcell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/unitcell' Making 32_to_64 in brillouin_zone make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/brillouin_zone' Making 32_to_64 in fractional make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/fractional' Making 32_to_64 in linesearch make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/linesearch' Making 32_to_64 in timing make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/timing' Making 32_to_64 in ewald make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ewald' Making 32_to_64 in thermostats make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/thermostats' Making 32_to_64 in MetaDynamics make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/MetaDynamics' Making 32_to_64 in TAMD make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TAMD' Making 32_to_64 in FMM make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/FMM' Making 32_to_64 in md_xs make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in FEFF6L make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs/FEFF6L' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/md_xs' Making 32_to_64 in nwpwxc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh nwpwxc_vdw3a.F converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/nwpwxc' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' Making 32_to_64 in libraryps make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/libraryps' Making 32_to_64 in pspw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F rho_symmetrizer.F polarizability.F dipole.F dipole_efield.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK converting rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK converting polarizability.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting dipole_efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Making 32_to_64 in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 vdw-DF.F vdw_DF_kernel.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK converting vdw_DF_kernel.F to 32-bit integers for BLAS/LAPACK make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making 32_to_64 in sic make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/sic' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_hfx.F pspw_shfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_shfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/hfx' Making 32_to_64 in ion make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/ion' Making 32_to_64 in psp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/psp' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/Grsm_list' Making 32_to_64 in aorbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/aorbs' Making 32_to_64 in truncating_function make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/truncating_function' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F pspw_wannier.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/makepsi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F cprmdv1.F inner_loop_cprmd.F runsocket.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting cprmdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_cprmd.F to 32-bit integers for BLAS/LAPACK converting runsocket.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgminimizeABC.F cgsd_noit_energy.F bfgsminimize.F bfgsminimizeABC.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgminimizeABC.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting bfgsminimizeABC.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cgsd' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_APC.F pspw_atom_Efield.F pspw_atom_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_Efield_grad.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cell_optimize' Making 32_to_64 in qmmm make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Making 32_to_64 in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making 32_to_64 in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Making 32_to_64 in pspw_Pair make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Pair' Making 32_to_64 in mmq make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/mmq' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' Making 32_to_64 in charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_charge.F pspw_efield.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_efield.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/charge' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/dplot' Making 32_to_64 in lcao make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F wvfnc_new_lcao_density.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new_lcao_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lcao' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw' Making 32_to_64 in paw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Making 32_to_64 in paw_geometry make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_geometry' Making 32_to_64 in paw_ma make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ma' Making 32_to_64 in paw_utils make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_utils' Making 32_to_64 in paw_basis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_basis' Making 32_to_64 in paw_proj make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_proj' Making 32_to_64 in paw_matrix make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_matrix' Making 32_to_64 in paw_ovlp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ovlp' Making 32_to_64 in paw_comp_charge make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_charge' Making 32_to_64 in paw_special_functions make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_special_functions' Making 32_to_64 in paw_gaunt make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_gaunt' Making 32_to_64 in paw_kinetic make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_kinetic' Making 32_to_64 in paw_vloc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_vloc' Making 32_to_64 in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' Making 32_to_64 in paw_core make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_core' Making 32_to_64 in paw_hartree make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_hartree' Making 32_to_64 in paw_comp_pot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_comp_pot' Making 32_to_64 in paw_mult make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_mult' Making 32_to_64 in paw_nonlocal make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_nonlocal' Making 32_to_64 in paw_density make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_density' Making 32_to_64 in paw_xc make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_xc' Making 32_to_64 in paw_force make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_force' Making 32_to_64 in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' Making 32_to_64 in paw_psi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_psi' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cpsd' Making 32_to_64 in cgsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cell_optimize' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw' Making 32_to_64 in band make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Making 32_to_64 in structure make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/structure' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' Making 32_to_64 in cell_optimize make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cell_optimize' Making 32_to_64 in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' Making 32_to_64 in makepsi make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' Making 32_to_64 in cpsp make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/cpsp' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/ke' Making 32_to_64 in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/electron' Making 32_to_64 in psi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cpsi.F c_geodesic.F c_geodesic2.F cpsi_lmbda.F cpsi_lmbda2.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F c_rho_symmetrizer.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting c_geodesic2.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda2.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK converting c_rho_symmetrizer.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Making 32_to_64 in hfx make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/hfx' Making 32_to_64 in Grsm_list make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/Grsm_list' Making 32_to_64 in borbs make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/borbs' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib' Making 32_to_64 in dplot make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/dplot' Making 32_to_64 in analysis make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' Making 32_to_64 in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_APC.F band_atom_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_atom_Efield.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band' Making 32_to_64 in ofpw make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' Making 32_to_64 in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' Making 32_to_64 in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/cpsd' Making 32_to_64 in lib make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' Making 32_to_64 in chi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' 32_to_64 : no conversion necessary make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/chi' Making 32_to_64 in electron make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/electron' Making 32_to_64 in ke make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/ke' Making 32_to_64 in WGC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib/WGC' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/lib' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' Making 32_to_64 in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' Making 32_to_64 in fftpack make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Making 32_to_64 in pfft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/pfft' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0' Making 32_to_64 in pfftwrap make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfftwrap' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/python' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/analyz' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cafe' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/space' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/drdy' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vscf' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmmm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 qmd_ext.F converting qmd_ext.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Making 32_to_64 in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' Making 32_to_64 in diis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Making 32_to_64 in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis2' Making 32_to_64 in gradients make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/gradients' Making 32_to_64 in ccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F ccsd_kernels.F sd_t2_8_loops.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK converting ccsd_kernels.F to 32-bit integers for BLAS/LAPACK converting sd_t2_8_loops.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd' Making 32_to_64 in ccsd_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_lambda' Making 32_to_64 in eomccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd' Making 32_to_64 in ccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_t' Making 32_to_64 in cr-eomccsd_t make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr-eomccsd_t' Making 32_to_64 in lrh make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lrh' Making 32_to_64 in emb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' Making 32_to_64 in ccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccd' Making 32_to_64 in lccd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccd' Making 32_to_64 in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/lccsd' Making 32_to_64 in qcisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/qcisd' Making 32_to_64 in cc3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Making 32_to_64 in mbpt1 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt1' Making 32_to_64 in mbpt2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt2' Making 32_to_64 in mbpt3 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt3' Making 32_to_64 in mbpt4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mbpt4' Making 32_to_64 in cis make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cis' Making 32_to_64 in cisd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisd' Making 32_to_64 in cisdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdt' Making 32_to_64 in cisdtq make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cisdtq' Making 32_to_64 in ccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Making 32_to_64 in eomccsd_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsd_act' Making 32_to_64 in cr_eomccsd_t_act make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cr_eomccsd_t_act' Making 32_to_64 in sort make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' 32_to_64 : no conversion necessary make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/sort' Making 32_to_64 in ducc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 rot_vir.F map_hcore.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK converting map_hcore.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ducc' Making 32_to_64 in ucc4 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ucc4' Making 32_to_64 in eaccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 eaccsd_x1.F eaccsd_x2.F tce_print_eax1.F tce_print_eax2.F tce_eax1_offset.F tce_eax2_offset.F tce_eom_eaxguess.F tce_jacobi_eax1.F tce_jacobi_eax2.F converting eaccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eaccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_print_eax2.F to 32-bit integers for BLAS/LAPACK converting tce_eax1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eax2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_eaxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_eax2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eaccsd' Making 32_to_64 in ipccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ipccsd_x1.F ipccsd_x2.F tce_print_ipx1.F tce_print_ipx2.F tce_ipx1_offset.F tce_ipx2_offset.F tce_eom_ipxguess.F tce_jacobi_ipx1.F tce_jacobi_ipx2.F converting ipccsd_x1.F to 32-bit integers for BLAS/LAPACK converting ipccsd_x2.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_print_ipx2.F to 32-bit integers for BLAS/LAPACK converting tce_ipx1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_ipx2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ipxguess.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_ipx2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ipccsd' Making 32_to_64 in ccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt' Making 32_to_64 in ccsdt_lambda make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsdt_lambda' Making 32_to_64 in eomccsdt make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/eomccsdt' Making 32_to_64 in ccsd_alpha make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_alpha' Making 32_to_64 in ccsd_beta make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_beta' Making 32_to_64 in ccsd_yr make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_yr' Making 32_to_64 in response make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/response' Making 32_to_64 in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' Making 32_to_64 in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' 32_to_64 : no conversion necessary make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Making 32_to_64 in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mr_ccsd_e.F mr_ccsd_t1.F mr_ccsd_t2.F mr_ccsd_dcl.F T2_C2_1.F T2_C2.F T2_pg_C2_1.F T2_pg_C2.F converting mr_ccsd_e.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting mr_ccsd_dcl.F to 32-bit integers for BLAS/LAPACK converting T2_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_C2.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2_1.F to 32-bit integers for BLAS/LAPACK converting T2_pg_C2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Making 32_to_64 in ccsd_sub make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 ccsd_st1.F ccsd_st2.F ccsd_se.F ccsd_dcl_sub.F converting ccsd_st1.F to 32-bit integers for BLAS/LAPACK converting ccsd_st2.F to 32-bit integers for BLAS/LAPACK converting ccsd_se.F to 32-bit integers for BLAS/LAPACK converting ccsd_dcl_sub.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_sub' Making 32_to_64 in ccsd_t make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_mrcc_q3vnt1.F tce_mrcc_q3vnt2.F tce_mrcc_q3fnt2.F tce_mrcc_ccsdpt.F tce_mrcc_ccsdpt_subg.F tce_mrcc_q3vnt1_subg.F tce_mrcc_q3fnt2_subg.F converting tce_mrcc_q3vnt1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ccsdpt_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3vnt1_subg.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_q3fnt2_subg.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd_t' Making 32_to_64 in uss make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_uss_offdiagonal_1.F tce_uss_offdiagonal_2.F tce_uss_offdiagonal_3.F tce_uss_offdiagonal_4.F ccsd_r3.F ccsd_r4.F tce_uss_aux.F tce_uss_T1_R1.F tce_uss_T2_R2.F converting tce_uss_offdiagonal_1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_2.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_3.F to 32-bit integers for BLAS/LAPACK converting tce_uss_offdiagonal_4.F to 32-bit integers for BLAS/LAPACK converting ccsd_r3.F to 32-bit integers for BLAS/LAPACK converting ccsd_r4.F to 32-bit integers for BLAS/LAPACK converting tce_uss_aux.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T1_R1.F to 32-bit integers for BLAS/LAPACK converting tce_uss_T2_R2.F to 32-bit integers for BLAS/LAPACK make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_mrcc_energy.F tce_mrcc_readref.F tce_mrcc_calcexcit.F tce_mrcc_sortint.F tce_mrcc_tile.F tce_mrcc_macpy.F tce_mrcc_fillindexarray.F tce_mrcc_uhf.F create_mr_evl_sorted.F pgcreatefile.F tce_mrcc_mo2e.F tce_mrcc_ao2e.F tce_subnxtask.F tce_mrcc_sublock.F eaf_mrcc.F tce_t3ac_offset.F tce_t4ac_offset.F tce_mrcc_refs_sym.F tce_mrcc_force_orben.F tce_mrcc_diis_init.F tce_mrcc_heff.F tce_mrcc_diis.F tce_mrcc_jacobi_t1.F tce_mrcc_jacobi_t2.F tce_mrcc_gacp.F tce_mrcc_daxfile.F tce_mrcc_diis_tidy.F tce_jacobi_sub_t1.F tce_jacobi_sub_t2.F tce_mrcc_c1.F tce_mrcc_c1_offset.F tce_mrcc_c2.F tce_mrcc_c2_offset.F tce_mrcc_mul_1.F tce_mrcc_mul_2.F tce_mrcc_diis_save.F tce_mrcc_diis_new.F tce_mrcc_create_cas1.F new_ga4ind_N5uhf_mrcc_lm2.F converting tce_mrcc_energy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_readref.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_calcexcit.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sortint.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_tile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_macpy.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_fillindexarray.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_uhf.F to 32-bit integers for BLAS/LAPACK converting create_mr_evl_sorted.F to 32-bit integers for BLAS/LAPACK converting pgcreatefile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_mrcc_sublock.F.254050 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_refs_sym.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_force_orben.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_init.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_heff.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_jacobi_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_gacp.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_daxfile.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_tidy.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t1.F to 32-bit integers for BLAS/LAPACK converting tce_jacobi_sub_t2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c1_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_c2_offset.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_1.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_mul_2.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_save.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_diis_new.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_create_cas1.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5uhf_mrcc_lm2.F to 32-bit integers for BLAS/LAPACK make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_mo1e.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.F converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 mm_input.F mm_bond.F mm_bond_coords.F mm_data.F mm_geom.F mm_link.F mm_vdw.F mm_vdw_coords.F converting mm_input.F to 32-bit integers for BLAS/LAPACK converting mm_bond.F to 32-bit integers for BLAS/LAPACK converting mm_bond_coords.F to 32-bit integers for BLAS/LAPACK converting mm_data.F to 32-bit integers for BLAS/LAPACK converting mm_geom.F to 32-bit integers for BLAS/LAPACK converting mm_link.F to 32-bit integers for BLAS/LAPACK converting mm_vdw.F to 32-bit integers for BLAS/LAPACK converting mm_vdw_coords.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 cons_data.F converting cons_data.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dntmc' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dangchang' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ccca' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 qmr_real.F dimqm_main.F CubicSpline.F dim_elfcon.F dim_elfder.F dim_tabcd.F qmr_complex.F qmr_seed_complex.F qmr_seed_real.F seeded_qmr_complex.F seeded_qmr_real.F seeded_qmr_real_augment.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK converting CubicSpline.F to 32-bit integers for BLAS/LAPACK converting dim_elfcon.F to 32-bit integers for BLAS/LAPACK converting dim_elfder.F to 32-bit integers for BLAS/LAPACK converting dim_tabcd.F to 32-bit integers for BLAS/LAPACK converting qmr_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_complex.F to 32-bit integers for BLAS/LAPACK converting qmr_seed_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_complex.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real.F to 32-bit integers for BLAS/LAPACK converting seeded_qmr_real_augment.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/dimqm' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' 32_to_64 : no conversion necessary make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fcidump' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' /build/reproducible-path/nwchem-7.2.3/build-mpich/src/config/32_to_64 gw_init.F gw_vxc.F gw_ri_init.F gw_invdiag.F ga_chol_inv_seq.F gw_tools.F gw_minres.F cs_minres_qlp.F gw_cdgw.F gw_cdgw_buildiw.F gw_cdgw_buildrn_minres.F gw_cdgw_buildpi.F gw_cdgw_buildrn_graph.F gw_analytic.F gw_analytic_rpa.F converting gw_init.F to 32-bit integers for BLAS/LAPACK converting gw_vxc.F to 32-bit integers for BLAS/LAPACK converting gw_ri_init.F to 32-bit integers for BLAS/LAPACK converting gw_invdiag.F to 32-bit integers for BLAS/LAPACK converting ga_chol_inv_seq.F to 32-bit integers for BLAS/LAPACK converting gw_tools.F to 32-bit integers for BLAS/LAPACK converting gw_minres.F to 32-bit integers for BLAS/LAPACK converting cs_minres_qlp.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildiw.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_minres.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildpi.F to 32-bit integers for BLAS/LAPACK converting gw_cdgw_buildrn_graph.F to 32-bit integers for BLAS/LAPACK converting gw_analytic.F to 32-bit integers for BLAS/LAPACK converting gw_analytic_rpa.F to 32-bit integers for BLAS/LAPACK make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' No blas conversion done here make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/64to32blas' touch 32_to_64 make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src' make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' dh_testdir for mpi_flavor in openmpi mpich; do \ export NWCHEM_TOP=/build/reproducible-path/nwchem-7.2.3/build-${mpi_flavor}; \ export NWCHEM_BASIS_LIBRARY=${NWCHEM_TOP}/src/basis/libraries/; \ export NWCHEM_NWPW_LIBRARY=${NWCHEM_TOP}/src/nwpw/libraryps/; \ export RUNTESTS=${NWCHEM_TOP}/QA/runtests.mpi.unix; \ export NWCHEM_EXECUTABLE=${NWCHEM_TOP}/bin/LINUX64/nwchem}; \ (cd /build/reproducible-path/nwchem-7.2.3/build-${mpi_flavor}/QA && if [ "" = "yes" ]; then \ ../debian/testsuite all; \ else \ ../debian/testsuite; \ fi); \ done Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/qmmm_grad0/qmmm_grad0 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/auh2o/auh2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2mp2/h2mp2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o/h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/hess_h2o/hess_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_h2o/prop_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rimp2_ne/rimp2_ne cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h2o/cosmo_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/ch5n_nbo/ch5n_nbo cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2s_finite/h2s_finite cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/startag/startag cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/esp/esp cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/esp_uhf/esp_uhf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/dft_bsse/dft_bsse cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dplot_dft/dplot_dft cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_meta/dft_meta cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_uhf_h2o/prop_uhf_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/et_zn_dimer/et_zn_dimer cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/vectors_rotate/vectors_rotate cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/sad_ch3hf/sad_ch3hf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw_stress/pspw_stress cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mcscf_ch2/mcscf_ch2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_li2freq/dft_li2freq cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/n2_ccsd/n2_ccsd cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ccsd_t_h2o/tce_ccsd_t_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rt_tddft_dimer_charge/rt_tddft_dimer_charge cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_eaccsd_ozone/tce_eaccsd_ozone cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ipccsd_f2/tce_ipccsd_f2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_hyperpolar_ccsd_small/tce_hyperpolar_ccsd_small cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mp2_scs_n2/mp2_scs_n2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_ch2o/tddftgrad_ch2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/water/water_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/water/water_pme cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/pspw_md/pspw_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h3co/cosmo_h3co cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK OK Running tests/dft_he2+/dft_he2+ cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/qmmm_grad0/qmmm_grad0 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/auh2o/auh2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/autosym/autosym cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2mp2/h2mp2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o/h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/hess_h2o/hess_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_h2o/prop_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/geom_zmatrix/geom_zmatrix cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rimp2_ne/rimp2_ne cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/small_intchk/small_intchk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tagcheck/tagcheck cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/testtab/testtab cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2o_dk/h2o_dk cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h2o/cosmo_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/ch5n_nbo/ch5n_nbo cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/h2s_finite/h2s_finite cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pyqa3/pyqa3 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/startag/startag cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/esp/esp cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/esp_uhf/esp_uhf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations ESP charges match Running tests/dft_bsse/dft_bsse cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dplot_dft/dplot_dft cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_meta/dft_meta cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_mpwb1khf/dft_mpwb1khf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/prop_uhf_h2o/prop_uhf_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/et_zn_dimer/et_zn_dimer cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/vectors_rotate/vectors_rotate cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/sad_ch3hf/sad_ch3hf cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/band/band cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw/pspw cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/pspw_stress/pspw_stress cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mcscf_ch2/mcscf_ch2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/dft_li2freq/dft_li2freq cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/n2_ccsd/n2_ccsd cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ccsd_t_h2o/tce_ccsd_t_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddft_h2o/tddft_h2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/rt_tddft_dimer_charge/rt_tddft_dimer_charge cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_eaccsd_ozone/tce_eaccsd_ozone cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_ipccsd_f2/tce_ipccsd_f2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tce_hyperpolar_ccsd_small/tce_hyperpolar_ccsd_small cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/mp2_scs_n2/mp2_scs_n2 cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_n2_uks/tddftgrad_n2_uks cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/tddftgrad_ch2o/tddftgrad_ch2o cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/water/water_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/water/water_pme cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying nwout ...... skipped verifying test ....... completed Running tests/pspw_md/pspw_md cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK Running tests/cosmo_h3co/cosmo_h3co cleaning scratch copying input and verified output files running nwchem (/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/nwchem) with 1 processors verifying output ... [0] ARMCI Warning: Freed 1 leaked allocations OK OK make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python3 libfakeroot internal error: payload not recognized! libfakeroot internal error: payload not recognized! dh_testroot dh_prep dh_installdirs dh_install dh_installdocs dh_installchangelogs dh_installexamples dh_installman dh_python3 E: dh_python3 dh_python3:198: no package to act on (python3-foo or one with ${python3:Depends} in Depends) dh_lintian dh_perl dh_link debian/rules execute_after_dh_link make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' dh_link -pnwchem-openmpi usr/bin/nwchem.openmpi usr/bin/nwchem dh_link -pnwchem-openmpi usr/share/man/man1/nwchem.1.gz usr/share/man/man1/nwchem.openmpi.1.gz dh_link -pnwchem-mpich usr/share/man/man1/nwchem.1.gz usr/share/man/man1/nwchem.mpich.1.gz make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dh_installdeb debian/rules override_dh_gencontrol make[1]: Entering directory '/build/reproducible-path/nwchem-7.2.3' dh_gencontrol -- -Vnwchem:Depends="nwchem-openmpi | nwchem-mpich | nwchem-openmpi" make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' dh_md5sums dh_builddeb dpkg-deb: building package 'nwchem-data' in '../nwchem-data_7.2.3-6_all.deb'. dpkg-deb: building package 'nwchem-openmpi-dbgsym' in '../nwchem-openmpi-dbgsym_7.2.3-6_arm64.deb'. dpkg-deb: building package 'nwchem-mpich' in '../nwchem-mpich_7.2.3-6_arm64.deb'. dpkg-deb: building package 'nwchem' in '../nwchem_7.2.3-6_all.deb'. dpkg-deb: building package 'nwchem-mpich-dbgsym' in '../nwchem-mpich-dbgsym_7.2.3-6_arm64.deb'. dpkg-deb: building package 'nwchem-openmpi' in '../nwchem-openmpi_7.2.3-6_arm64.deb'. dpkg-genbuildinfo --build=binary -O../nwchem_7.2.3-6_arm64.buildinfo dpkg-genchanges --build=binary -O../nwchem_7.2.3-6_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/497647 and its subdirectories I: Current time: Thu Dec 11 02:29:57 -12 2025 I: pbuilder-time-stamp: 1765463397 Fri Nov 8 08:07:16 UTC 2024 I: 1st build successful. Starting 2nd build on remote node codethink04-arm64.debian.net. Fri Nov 8 08:07:16 UTC 2024 I: Preparing to do remote build '2' on codethink04-arm64.debian.net. Fri Nov 8 10:52:08 UTC 2024 I: Deleting $TMPDIR on codethink04-arm64.debian.net. Fri Nov 8 10:52:09 UTC 2024 I: nwchem_7.2.3-6_arm64.changes: Format: 1.8 Date: Wed, 06 Nov 2024 00:12:01 +0100 Source: nwchem Binary: nwchem nwchem-data nwchem-mpich nwchem-mpich-dbgsym nwchem-openmpi nwchem-openmpi-dbgsym Architecture: all arm64 Version: 7.2.3-6 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Drew Parsons Description: nwchem - High-performance computational chemistry software (default MPI) nwchem-data - High-performance computational chemistry software (data files) nwchem-mpich - High-performance computational chemistry software (MPICH build) nwchem-openmpi - High-performance computational chemistry software (OpenMPI build) Changes: nwchem (7.2.3-6) unstable; urgency=medium . * skip mpich tests on mips64el since armci is flakey there (armci fails its own mpich tests on mips64el) Checksums-Sha1: 8a5987bf07be66719477f26fb17c6acd917fbdb9 6131696 nwchem-data_7.2.3-6_all.deb 7580428f58df4859048086f5eebcf8b7efce9ce6 5745772 nwchem-mpich-dbgsym_7.2.3-6_arm64.deb a93ee648d3fa83031cd3f2f4d78d0662d69f8972 11240952 nwchem-mpich_7.2.3-6_arm64.deb 694b2f6d3c79a1def1fb9cb5011f60c673ddc75f 5747456 nwchem-openmpi-dbgsym_7.2.3-6_arm64.deb ac98596ad4e1efbb6dbfe834875e15c22d136574 11245476 nwchem-openmpi_7.2.3-6_arm64.deb eee136dade755a1268e7cd5c0cbab5bacbd39622 21472 nwchem_7.2.3-6_all.deb e12d6830d304e169dff637272c501dd314959697 10330 nwchem_7.2.3-6_arm64.buildinfo Checksums-Sha256: 9579f8ed201ceb4546a7370a27b3cbccfb381ce752c6c2597de71b5eab00e357 6131696 nwchem-data_7.2.3-6_all.deb f1c025ab1c7a21f32f0d84e5ff5344538e24b5b589cc74e57059ad8e35a42896 5745772 nwchem-mpich-dbgsym_7.2.3-6_arm64.deb cb3db7b000e03a4201db56489d0c976398e09db2cbf9738fefe183b38beb9a23 11240952 nwchem-mpich_7.2.3-6_arm64.deb c01562d8034d690c66ae47fe5b5bfb8132f08df5d10c820340c709ec39ba4cae 5747456 nwchem-openmpi-dbgsym_7.2.3-6_arm64.deb 3a66a168343d5c4eb5820c83c6d4bfaf1d2ea4ba40f6535211740512ae14ba01 11245476 nwchem-openmpi_7.2.3-6_arm64.deb a4061c2ef4d341c1e85623c7200bbd81f206422f47d279b931ff70053d80a349 21472 nwchem_7.2.3-6_all.deb 4972c6d6c13a5da2629e7ece0541a7faea7284bd6830e62d5214233173c9817e 10330 nwchem_7.2.3-6_arm64.buildinfo Files: adf1a6acacaef1e702403976fe898503 6131696 science optional nwchem-data_7.2.3-6_all.deb ee687e0aec4d8a3849d45e23b0603d17 5745772 debug optional nwchem-mpich-dbgsym_7.2.3-6_arm64.deb cbd16e23882d3e15f03a9313edfe098b 11240952 science optional nwchem-mpich_7.2.3-6_arm64.deb edbf6a97bea471c7e8cdc0c7211cf46e 5747456 debug optional nwchem-openmpi-dbgsym_7.2.3-6_arm64.deb 567e457857051edf022223b3b89b7521 11245476 science optional nwchem-openmpi_7.2.3-6_arm64.deb 86c813ca12a28d7794c7f7cf77ede20a 21472 science optional nwchem_7.2.3-6_all.deb cbdbfe259109cddfc9bbd67b91efc0d7 10330 science optional nwchem_7.2.3-6_arm64.buildinfo Fri Nov 8 10:52:12 UTC 2024 I: diffoscope 282 will be used to compare the two builds: Running as unit: rb-diffoscope-arm64_11-69860.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/nwchem_7.2.3-6.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/nwchem_7.2.3-6.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/nwchem_7.2.3-6.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/b1/nwchem_7.2.3-6_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/b2/nwchem_7.2.3-6_arm64.changes ## close_archive (total time: 0.001s) 0.000s 40 calls diffoscope.comparators.xz.XzContainer 0.000s 28 calls diffoscope.comparators.tar.TarContainer 0.000s 20 calls diffoscope.comparators.deb.DebContainer 0.000s 12 calls diffoscope.comparators.deb.DebTarContainer ## command (total time: 3830.169s) 1528.069s 237 calls diff 1463.061s 352 calls objdump 822.015s 2034 calls readelf 6.366s 4 calls objcopy 5.885s 44 calls strings 4.745s 40 calls xz 0.011s 1 call cmp 0.011s 1 call cmp (external) 0.005s 38 calls cmp (internal) ## compare_files (cumulative) (total time: 12318.243s) 2134.324s 1 call abc.DotChangesFile 2134.182s 4 calls abc.DebFile 2133.812s 8 calls abc.XzFile 2129.907s 4 calls abc.DebDataTarFile 2127.656s 4 calls abc.ElfFile 1581.466s 16 calls diffoscope.comparators.elf.ElfCodeSection 75.386s 70 calls diffoscope.comparators.elf.ElfSection 1.268s 6 calls diffoscope.comparators.elf.ElfStringSection 0.141s 4 calls abc.TarFile 0.056s 2 calls diffoscope.comparators.elf.MonkeyPatchedElfSection 0.022s 2 calls abc.TextFile 0.021s 4 calls abc.Md5sumsFile ## container_extract (total time: 5.838s) 4.748s 40 calls diffoscope.comparators.xz.XzContainer 0.690s 26 calls diffoscope.comparators.deb.DebTarContainer 0.378s 48 calls diffoscope.comparators.deb.DebContainer 0.022s 36 calls diffoscope.comparators.tar.TarContainer ## diff (total time: 0.157s) 0.157s 31 calls linediff ## has_same_content_as (total time: 0.021s) 0.013s 6 calls abc.DebFile 0.002s 8 calls abc.XzFile 0.001s 8 calls abc.TextFile 0.001s 8 calls abc.Md5sumsFile 0.001s 4 calls abc.DebDataTarFile 0.001s 4 calls abc.ElfFile 0.001s 5 calls diffoscope.comparators.utils.libarchive.LibarchiveSymlink 0.001s 70 calls diffoscope.comparators.elf.ElfSection 0.001s 4 calls abc.TarFile 0.000s 1 call abc.DotChangesFile 0.000s 16 calls diffoscope.comparators.elf.ElfCodeSection 0.000s 6 calls diffoscope.comparators.elf.ElfStringSection 0.000s 2 calls diffoscope.comparators.elf.MonkeyPatchedElfSection ## main (total time: 2135.492s) 2135.491s 2 calls outputs 0.001s 1 call cleanup ## open_archive (total time: 0.001s) 0.000s 40 calls diffoscope.comparators.xz.XzContainer 0.000s 28 calls diffoscope.comparators.tar.TarContainer 0.000s 20 calls diffoscope.comparators.deb.DebContainer 0.000s 12 calls diffoscope.comparators.deb.DebTarContainer ## output (total time: 0.378s) 0.375s 1 call html 0.001s 1 call text 0.001s 1 call json ## recognizes (total time: 2.549s) 1.166s 1800 calls diffoscope.comparators.utils.archive.ArchiveMember 0.750s 3616 calls diffoscope.comparators.utils.libarchive.LibarchiveMember 0.428s 12 calls diffoscope.comparators.binary.FilesystemFile 0.205s 648 calls diffoscope.comparators.debian.DebControlMember ## specialize (total time: 0.486s) 0.486s 142 calls specialize Finished with result: success Main processes terminated with: code=exited/status=1 Service runtime: 35min 35.893s CPU time consumed: 43min 10.572s Fri Nov 8 11:27:49 UTC 2024 W: Diffoscope claims the build is reproducible, but there is a diffoscope file. Please investigate. Fri Nov 8 11:27:49 UTC 2024 E: nwchem failed to build reproducibly in unstable on arm64. Fri Nov 8 11:27:50 UTC 2024 I: Submitting .buildinfo files to external archives: Fri Nov 8 11:27:50 UTC 2024 I: Submitting 12K b1/nwchem_7.2.3-6_arm64.buildinfo.asc Fri Nov 8 11:27:51 UTC 2024 I: Submitting 12K b2/nwchem_7.2.3-6_arm64.buildinfo.asc Fri Nov 8 11:27:52 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Fri Nov 8 11:27:52 UTC 2024 I: Done submitting .buildinfo files. Fri Nov 8 11:27:52 UTC 2024 I: Removing signed nwchem_7.2.3-6_arm64.buildinfo.asc files: removed './b1/nwchem_7.2.3-6_arm64.buildinfo.asc' removed './b2/nwchem_7.2.3-6_arm64.buildinfo.asc'